data_2006664 _journal_name_full 'Acta Crystallographica' _journal_year 1997 _journal_volume C53 _journal_page_first 1698 _journal_page_last 1701 _publ_section_title ; Diastereoselectivity in the Transannular Diels--Alder Reaction of a trans-trans-trans 14-Membered Macrocycle Leading to Steroids ; loop_ _publ_author_name ' Drouin, Marc' 'Couturier, Michel' 'Pierre Deslongchamps' _chemical_formula_moiety 'C24 H32 O7' _chemical_formula_sum 'C24 H32 O7' _chemical_formula_weight 432.50 _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M 'P 21' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z' _cell_length_a 7.278(4) _cell_length_b 12.199(2) _cell_length_c 24.494(7) _cell_angle_alpha 90.00 _cell_angle_beta 91.89(3) _cell_angle_gamma 90.00 _cell_volume 2173.6(13) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _exptl_crystal_density_diffrn 1.322 _diffrn_ambient_temperature 193 _refine_ls_R_factor_obs .0599 _refine_ls_wR_factor_obs .1749 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_thermal_displace_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_disorder_group _atom_site_type_symbol C1 .0600(6) .8295(3) .5216(2) .0285(8) Uani d . 1 . C H1A -.0107 .7716 .5381 .034 Uiso calc . 1 . H H1B .1127 .7998 .4888 .034 Uiso calc . 1 . H C2 .2165(6) .8627(3) .5614(2) .0321(9) Uani d . 1 . C H2A .2999 .9109 .5428 .038 Uiso calc . 1 . H H2B .2848 .7976 .5724 .038 Uiso calc . 1 . H C3 .1496(6) .9213(3) .6132(2) .0284(8) Uani d . 1 . C C4 .0192(6) 1.0159(3) .5961(2) .0294(8) Uani d . 1 . C H4A -.0305 1.0488 .6285 .035 Uiso calc . 1 . H H4B .0881 1.0717 .5774 .035 Uiso calc . 1 . H C5 -.1383(6) .9761(3) .55875(15) .0277(8) Uani d . 1 . C H5 -.1992 .9173 .5786 .033 Uiso calc . 1 . H C6 -.2820(6) 1.0620(3) .5473(2) .0314(9) Uani d . 1 . C H6 -.2922 1.1199 .5717 .038 Uiso calc . 1 . H C7 -.3952(6) 1.0588(4) .5037(2) .0329(9) Uani d . 1 . C H7 -.4789 1.1157 .4986 .039 Uiso calc . 1 . H C8 -.3955(5) .9680(3) .4621(2) .0278(8) Uani d . 1 . C H8 -.5157 .9320 .4633 .033 Uiso calc . 1 . H C9 -.2472(6) .8784(3) .4757(2) .0292(8) Uani d . 1 . C H9 -.3036 .8318 .5030 .035 Uiso calc . 1 . H C10 -.0715(6) .9240(3) .5050(2) .0260(8) Uani d . 1 . C C11 -.2169(6) .8005(4) .4265(2) .0368(10) Uani d . 1 . C H11A -.1039 .7602 .4338 .044 Uiso calc . 1 . H H11B -.3163 .7475 .4252 .044 Uiso calc . 1 . H C12 -.2056(7) .8517(4) .3695(2) .0376(10) Uani d . 1 . C H12A -.0936 .8944 .3672 .045 Uiso calc . 1 . H H12B -.2036 .7945 .3420 .045 Uiso calc . 1 . H C13 -.3722(6) .9254(4) .3593(2) .0309(9) Uani d . 1 . C C14 -.3781(5) 1.0141(3) .4040(2) .0288(8) Uani d . 1 . C H14 -.2601 1.0527 .4035 .035 Uiso calc . 1 . H C15 -.5249(6) 1.0951(4) .3815(2) .0323(9) Uani d . 1 . C H15A -.6482 1.0667 .3857 .039 Uiso calc . 1 . H H15B -.5143 1.1659 .3993 .039 Uiso calc . 1 . H C16 -.4759(6) 1.1023(4) .3209(2) .0380(10) Uani d . 1 . C H16A -.5865 1.1057 .2977 .046 Uiso calc . 1 . H H16B -.4023 1.1670 .3143 .046 Uiso calc . 1 . H C17 -.3685(6) .9996(4) .3093(2) .0336(9) Uani d . 1 . C C18 .0335(6) 1.0070(3) .4711(2) .0291(8) Uani d . 1 . C H18A -.0468 1.0664 .4607 .044 Uiso calc . 1 . H H18B .0770 .9719 .4389 .044 Uiso calc . 1 . H H18C .1362 1.0350 .4924 .044 Uiso calc . 1 . H C19 .0480(6) .8463(4) .6532(2) .0293(8) Uani d . 1 . C C20 -.0320(7) .6673(4) .6772(2) .0410(11) Uani d . 1 . C H20A -.0186 .5929 .6653 .061 Uiso calc . 1 . H H20B -.1602 .6856 .6779 .061 Uiso calc . 1 . H H20C .0225 .6753 .7132 .061 Uiso calc . 1 . H C21 .3134(6) .9663(4) .6457(2) .0336(9) Uani d . 1 . C C22 .5490(7) .9215(6) .7105(3) .0579(15) Uani d . 1 . C H22A .5942 .8596 .7311 .087 Uiso calc . 1 . H H22B .5132 .9783 .7351 .087 Uiso calc . 1 . H H22C .6439 .9485 .6877 .087 Uiso calc . 1 . H C23 -.5481(6) .8563(4) .3538(2) .0343(9) Uani d . 1 . C C24 -.7047(7) .7285(4) .2983(2) .0444(11) Uani d . 1 . C H24A -.6908 .6905 .2644 .067 Uiso calc . 1 . H H24B -.8143 .7723 .2962 .067 Uiso calc . 1 . H H24C -.7137 .6763 .3274 .067 Uiso calc . 1 . H O1 -.0282(5) .8805(3) .69153(12) .0409(8) Uani d . 1 . O O2 .0592(4) .7401(3) .63991(11) .0332(6) Uani d . 1 . O O3 .3708(5) 1.0583(3) .6431(2) .0504(9) Uani d . 1 . O O4 .3919(5) .8887(3) .6767(2) .0461(9) Uani d . 1 . O O5 -.6728(6) .8530(4) .3847(2) .0660(13) Uani d . 1 . O O6 -.5485(4) .7980(3) .30871(12) .0384(7) Uani d . 1 . O O7 -.2828(5) .9818(3) .26812(12) .0474(9) Uani d . 1 . O C5' .2965(7) .0283(4) .9440(2) .0368(10) Uani d . 1 . C H5' .2321 .0874 .9242 .044 Uiso calc . 1 1 H C6' .1583(8) -.0595(4) .9531(2) .0430(11) Uani d . 1 . C H6' .1442 -.1151 .9273 .052 Uiso calc . 1 . H C7' .0551(7) -.0610(4) .9965(2) .0416(11) Uani d . 1 . C H7' -.0268 -.1189 1.0001 .050 Uiso calc . 1 . H C8' .0624(6) .0255(4) 1.0405(2) .0370(10) Uani d . 1 . C H8' -.0599 .0591 1.0408 .044 Uiso calc . 1 . H C9' .1997(6) .1185(4) 1.0284(2) .0316(9) Uani d . 1 . C H9' .1343 .1650 1.0016 .038 Uiso calc . 1 . H C10' .3717(6) .0778(3) .9986(2) .0311(9) Uani d . 1 . C C11' .2336(6) .1937(4) 1.0787(2) .0368(10) Uani d . 1 . C H11C .3431 .2367 1.0724 .044 Uiso calc . 1 . H H11D .1314 .2446 1.0801 .044 Uiso calc . 1 . H C12' .2571(6) .1403(4) 1.1348(2) .0373(10) Uani d . 1 . C H12C .2580 .1962 1.1630 .045 Uiso calc . 1 . H H12D .3732 .1013 1.1374 .045 Uiso calc . 1 . H C13' .0985(7) .0608(4) 1.1430(2) .0385(10) Uani d . 1 . C C14' .0971(7) -.0257(4) 1.0972(2) .0394(10) Uani d . 1 . C H14' .2269 -.0461 1.0963 .035 Uiso d P .50 . H H14B .2167 -.0622 1.0978 .035 Uiso d P .50 . H C15' -.0507(17) -.1057(10) 1.1178(3) .039(3) Uiso d PD .58(3) 1 C H15C -.0661 -.1695 1.0945 .047 Uiso calc P .58 1 H H15D -.1684 -.0701 1.1224 .047 Uiso calc P .58 1 H C16' .0564(17) -.1358(9) 1.1779(4) .042(3) Uiso d PD .58(3) 1 C H16C -.0261 -.1676 1.2038 .050 Uiso calc P .58 1 H H16D .1619 -.1833 1.1736 .050 Uiso calc P .58 1 H C15B .004(2) -.1330(11) 1.1180(4) .031(3) Uiso d PD .42(3) 2 C H15E -.1168 -.1437 1.1009 .037 Uiso calc P .42 2 H H15F .0794 -.1970 1.1117 .037 Uiso calc P .42 2 H C16B -.008(2) -.1072(11) 1.1799(4) .032(4) Uiso d PD .42(3) 2 C H16E -.1336 -.0890 1.1885 .039 Uiso calc P .42 2 H H16F .0290 -.1710 1.2013 .039 Uiso calc P .42 2 H C17' .1140(8) -.0143(5) 1.1935(2) .0471(12) Uani d . 1 . C C18' .4874(6) -.0067(4) 1.0311(2) .0369(10) Uani d . 1 . C H18D .5327 .0257 1.0646 .055 Uiso calc . 1 . H H18E .5891 -.0296 1.0099 .055 Uiso calc . 1 . H H18F .4125 -.0691 1.0391 .055 Uiso calc . 1 . H C23' -.0838(11) .1083(10) 1.1514(4) .032(2) Uiso d PD .56(2) 1 C O5' -.2254(8) .0803(6) 1.1284(3) .041(2) Uiso d PD .56(2) 1 O O6' -.0884(11) .1888(7) 1.1885(3) .035(2) Uiso d PD .56(2) 1 O C24' -.2614(14) .2401(10) 1.1967(4) .039(3) Uiso d PD .56(2) 1 C H24D -.2467 .2964 1.2239 .058 Uiso calc P .56 1 H H24E -.3476 .1865 1.2087 .058 Uiso calc P .56 1 H H24F -.3062 .2721 1.1630 .058 Uiso calc P .56 1 H C23B -.0847(14) .1373(12) 1.1434(5) .032(3) Uiso d PD .44(2) 2 C O5B -.2188(11) .1347(9) 1.1141(3) .048(3) Uiso d PD .44(2) 2 O O6B -.0606(14) .2056(9) 1.1835(4) .036(3) Uiso d PD .44(2) 2 O C24B -.2221(19) .2702(13) 1.1959(5) .045(4) Uiso d PD .44(2) 2 C H24G -.1930 .3188 1.2258 .068 Uiso calc P .44 2 H H24H -.3202 .2222 1.2057 .068 Uiso calc P .44 2 H H24I -.2597 .3124 1.1644 .068 Uiso calc P .44 2 H O7' .1874(5) .0089(3) 1.23664(13) .0505(9) Uani d . 1 . O C1' .498(3) .1657(18) .9808(9) .036(4) Uani d PD .556(7) 1 C H1'1 .5619 .1951 1.0130 .043 Uiso calc P .56 1 H H1'2 .4247 .2244 .9647 .043 Uiso calc P .56 1 H C2' .643(2) .1324(11) .9396(6) .037(3) Uani d PDU .556(7) 1 C H2'1 .7074 .1977 .9281 .045 Uiso calc P .56 1 H H2'2 .7326 .0848 .9578 .045 Uiso calc P .56 1 H C3' .5632(19) .0734(10) .8888(5) .033(2) Uani d PDU .556(7) 1 C C4' .434(2) -.0200(12) .9051(7) .034(3) Uani d PDU .556(7) 1 C H4'1 .3706 -.0498 .8730 .040 Uiso calc P .56 1 H H4'2 .5037 -.0784 .9229 .040 Uiso calc P .56 1 H C19' .497(2) .1720(11) .8550(6) .037(3) Uani d PDU .556(7) 1 C O1' .5360(11) .2780(5) .8630(2) .0378(15) Uani d PDU .556(7) 1 O O2' .4060(15) .1405(8) .8167(5) .057(3) Uani d PDU .556(7) 1 O C20' .4658(12) .3549(7) .8227(3) .037(2) Uani d PDU .556(7) 1 C H20D .5025 .4278 .8330 .056 Uiso calc P .56 1 H H20E .3341 .3506 .8205 .056 Uiso calc P .56 1 H H20F .5142 .3373 .7878 .056 Uiso calc P .56 1 H C21' .7198(14) .0216(10) .8552(4) .038(2) Uani d PDU .556(7) 1 C O3' .7429(17) -.0726(8) .8509(5) .062(3) Uani d PDU .556(7) 1 O O4' .8234(10) .0996(5) .8343(3) .043(2) Uani d PDU .556(7) 1 O C22' .9760(14) .0583(8) .8047(4) .050(2) Uani d PDU .556(7) 1 C H22D 1.0449 .1186 .7908 .075 Uiso calc P .56 1 H H22E .9310 .0136 .7749 .075 Uiso calc P .56 1 H H22F 1.0538 .0152 .8287 .075 Uiso calc P .56 1 H C1B .491(4) .187(2) .9873(10) .030(4) Uani d PDU .444(7) 2 C H1B1 .4134 .2417 .9696 .036 Uiso calc P .44 2 H H1B2 .5370 .2169 1.0218 .036 Uiso calc P .44 2 H C2B .654(2) .1609(13) .9510(7) .034(3) Uani d PDU .444(7) 2 C H2B1 .7158 .2289 .9420 .041 Uiso calc P .44 2 H H2B2 .7418 .1155 .9714 .041 Uiso calc P .44 2 H C3B .597(2) .1017(13) .8977(7) .034(3) Uani d PDU .444(7) 2 C C4B .475(2) .0020(14) .9093(9) .031(3) Uani d PDU .444(7) 2 C H4B1 .5485 -.0523 .9288 .038 Uiso calc P .44 2 H H4B2 .4346 -.0301 .8747 .038 Uiso calc P .44 2 H C19B .455(2) .1500(13) .8497(8) .036(3) Uani d PDU .444(7) 2 C O1B .3717(15) .0973(9) .8080(4) .041(2) Uani d PDU .444(7) 2 O O2B .4385(16) .2473(8) .8562(4) .052(2) Uani d PDU .444(7) 2 O C20B .2597(16) .1614(10) .7706(4) .048(3) Uani d PDU .444(7) 2 C H20G .2078 .1145 .7426 .073 Uiso calc P .44 2 H H20H .3339 .2166 .7542 .073 Uiso calc P .44 2 H H20I .1626 .1957 .7899 .073 Uiso calc P .44 2 H C21B .7754(15) .0712(9) .8675(4) .034(2) Uani d PDU .444(7) 2 C O3B .9000(13) .1308(7) .8637(4) .053(2) Uani d PDU .444(7) 2 O O4B .7602(16) -.0276(11) .8450(5) .042(2) Uani d PDU .444(7) 2 O C22B .9143(15) -.0579(9) .8134(5) .043(3) Uani d PDU .444(7) 2 C H22G .8944 -.1297 .7983 .064 Uiso calc P .44 2 H H22H 1.0236 -.0584 .8365 .064 Uiso calc P .44 2 H H22I .9282 -.0060 .7844 .064 Uiso calc P .44 2 H loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 C1 .036(2) .021(2) .029(2) .006(2) .005(2) -.0007(14) C2 .037(2) .028(2) .031(2) .000(2) .001(2) .004(2) C3 .029(2) .029(2) .027(2) .000(2) .0037(15) .001(2) C4 .033(2) .026(2) .029(2) .001(2) .001(2) -.001(2) C5 .035(2) .024(2) .025(2) -.001(2) .0039(14) -.0011(15) C6 .036(2) .028(2) .030(2) .003(2) .004(2) -.006(2) C7 .034(2) .030(2) .035(2) .008(2) .004(2) -.003(2) C8 .029(2) .029(2) .026(2) .003(2) .0028(14) -.004(2) C9 .034(2) .025(2) .029(2) -.003(2) .004(2) .001(2) C10 .031(2) .021(2) .026(2) .0016(15) .0023(15) -.0003(14) C11 .043(3) .029(2) .037(2) .002(2) -.003(2) -.010(2) C12 .044(3) .035(2) .033(2) .006(2) -.002(2) -.014(2) C13 .026(2) .035(2) .032(2) -.001(2) .001(2) -.008(2) C14 .028(2) .030(2) .028(2) .001(2) .0007(15) -.003(2) C15 .029(2) .037(2) .030(2) .004(2) -.001(2) -.004(2) C16 .034(2) .048(3) .032(2) .002(2) -.006(2) -.002(2) C17 .031(2) .041(2) .028(2) -.010(2) -.002(2) -.006(2) C18 .034(2) .026(2) .028(2) .001(2) .002(2) .001(2) C19 .030(2) .035(2) .022(2) -.002(2) -.0053(14) .001(2) C20 .046(3) .041(3) .035(2) -.014(2) -.003(2) .012(2) C21 .033(2) .034(2) .034(2) .003(2) .001(2) -.001(2) C22 .033(3) .068(4) .072(4) -.008(2) -.021(2) .007(3) C23 .040(2) .035(2) .027(2) -.005(2) -.001(2) -.004(2) C24 .053(3) .045(3) .034(2) -.016(2) -.003(2) -.005(2) O1 .046(2) .046(2) .0314(15) .003(2) .0073(13) .0010(14) O2 .039(2) .0307(15) .0304(14) -.0015(13) .0024(11) .0036(12) O3 .050(2) .042(2) .058(2) -.017(2) -.012(2) .006(2) O4 .035(2) .039(2) .063(2) -.0022(15) -.017(2) .004(2) O5 .060(2) .086(3) .054(2) -.036(2) .021(2) -.034(2) O6 .042(2) .040(2) .0333(15) -.0084(14) .0021(12) -.0080(13) O7 .064(2) .051(2) .0280(14) -.008(2) .0144(14) -.0088(15) C5' .047(3) .039(2) .025(2) .009(2) .005(2) -.001(2) C6' .061(3) .038(2) .030(2) .003(2) -.001(2) -.012(2) C7' .047(3) .040(2) .037(2) -.009(2) -.003(2) -.009(2) C8' .036(2) .039(2) .036(2) -.005(2) -.003(2) -.010(2) C9' .033(2) .032(2) .031(2) -.003(2) -.001(2) -.005(2) C10' .032(2) .032(2) .029(2) .005(2) .000(2) .002(2) C11' .039(3) .030(2) .042(2) -.007(2) .003(2) -.009(2) C12' .034(2) .040(2) .038(2) -.007(2) -.001(2) -.016(2) C13' .040(3) .042(2) .033(2) -.005(2) .000(2) -.012(2) C14' .049(3) .038(2) .031(2) -.015(2) .002(2) -.011(2) C17' .052(3) .058(3) .032(2) -.013(3) .009(2) -.011(2) C18' .036(2) .040(2) .035(2) .004(2) -.001(2) .009(2) O7' .056(2) .059(2) .036(2) .008(2) -.0036(14) -.009(2) C1' .046(8) .018(7) .043(7) .005(5) -.001(5) -.004(4) C2' .049(5) .031(6) .032(5) .004(4) .004(4) -.001(4) C3' .043(5) .032(5) .025(4) .009(4) .011(4) .006(4) C4' .040(6) .030(5) .032(5) -.002(4) .007(4) -.003(4) C19' .045(6) .038(5) .029(4) .003(4) .000(4) .003(4) O1' .046(4) .029(3) .038(3) .005(3) -.002(3) .011(2) O2' .067(5) .048(5) .055(5) -.011(4) -.023(4) .014(5) C20' .040(5) .040(4) .032(4) .003(3) .001(3) .011(3) C21' .045(5) .033(5) .036(4) .009(4) .004(4) .000(4) O3' .089(7) .030(5) .069(5) .019(5) .037(4) .007(4) O4' .047(4) .036(3) .047(4) .009(3) .015(3) -.001(3) C22' .047(5) .047(5) .057(5) .003(4) .018(4) -.011(4) C1B .030(8) .027(10) .032(7) -.010(7) .011(5) -.001(6) C2B .041(6) .034(7) .027(6) .000(5) .006(5) .010(5) C3B .041(5) .027(5) .034(5) -.001(4) .007(4) .008(4) C4B .041(7) .029(6) .024(5) .004(5) .005(5) .002(5) C19B .043(7) .031(6) .034(6) .005(5) .005(5) .006(5) O1B .044(5) .046(6) .033(4) .015(4) .002(4) .006(4) O2B .058(6) .038(5) .062(5) -.001(5) .013(5) .008(4) C20B .054(7) .055(7) .036(5) .022(6) -.001(4) .015(5) C21B .037(5) .033(5) .031(4) .014(4) .006(4) .003(4) O3B .049(5) .037(4) .074(6) -.005(4) .026(4) -.007(4) O4B .044(5) .038(7) .045(5) -.002(5) .017(4) -.004(5) C22B .037(6) .047(6) .046(6) .001(5) .017(4) -.013(5) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag C1 C2 . 1.531(6) ? C1 C10 . 1.544(5) ? C1 H1A . .970(4) ? C1 H1B . .970(4) ? C2 C3 . 1.548(5) ? C2 H2A . .970(4) ? C2 H2B . .970(4) ? C3 C21 . 1.515(6) ? C3 C4 . 1.543(6) ? C3 C19 . 1.547(6) ? C4 C5 . 1.523(5) ? C4 H4A . .970(4) ? C4 H4B . .970(4) ? C5 C6 . 1.501(6) ? C5 C10 . 1.554(5) ? C5 H5 . .980(4) ? C6 C7 . 1.328(6) ? C6 H6 . .930(4) ? C7 C8 . 1.504(6) ? C7 H7 . .930(4) ? C8 C14 . 1.540(5) ? C8 C9 . 1.565(6) ? C8 H8 . .980(4) ? C9 C10 . 1.549(6) ? C9 C11 . 1.556(6) ? C9 H9 . .980(4) ? C10 C18 . 1.531(5) ? C11 C12 . 1.534(6) ? C11 H11A . .970(5) ? C11 H11B . .970(5) ? C12 C13 . 1.523(6) ? C12 H12A . .970(5) ? C12 H12B . .970(4) ? C13 C17 . 1.524(6) ? C13 C23 . 1.534(6) ? C13 C14 . 1.540(5) ? C14 C15 . 1.544(6) ? C14 H14 . .980(4) ? C15 C16 . 1.541(6) ? C15 H15A . .970(4) ? C15 H15B . .970(4) ? C16 C17 . 1.509(7) ? C16 H16A . .970(4) ? C16 H16B . .970(5) ? C17 O7 . 1.223(5) ? C18 H18A . .960(4) ? C18 H18B . .960(4) ? C18 H18C . .960(4) ? C19 O1 . 1.181(5) ? C19 O2 . 1.339(5) ? C20 O2 . 1.451(5) ? C20 H20A . .960(5) ? C20 H20B . .960(5) ? C20 H20C . .960(4) ? C21 O3 . 1.200(6) ? C21 O4 . 1.331(6) ? C22 O4 . 1.446(6) ? C22 H22A . .960(6) ? C22 H22B . .960(7) ? C22 H22C . .960(6) ? C23 O5 . 1.202(6) ? C23 O6 . 1.313(5) ? C24 O6 . 1.434(6) ? C24 H24A . .960(5) ? C24 H24B . .960(6) ? C24 H24C . .960(5) ? C5' C6' . 1.490(7) ? C5' C4' . 1.52(2) ? C5' C10' . 1.550(6) ? C5' C4B . 1.61(2) ? C5' H5' . .980(4) ? C6' C7' . 1.322(7) ? C6' H6' . .930(4) ? C7' C8' . 1.509(6) ? C7' H7' . .930(5) ? C8' C14' . 1.537(6) ? C8' C9' . 1.547(6) ? C8' H8' . .980(5) ? C9' C11' . 1.550(6) ? C9' C10' . 1.552(6) ? C9' H9' . .980(4) ? C10' C1' . 1.49(2) ? C10' C18' . 1.537(6) ? C10' C1B . 1.62(2) ? C11' C12' . 1.526(7) ? C11' H11C . .970(4) ? C11' H11D . .970(5) ? C12' C13' . 1.527(7) ? C12' H12C . .970(4) ? C12' H12D . .970(5) ? C13' C23' . 1.468(10) ? C13' C14' . 1.539(6) ? C13' C17' . 1.540(7) ? C13' C23B . 1.628(12) ? C14' C15' . 1.548(10) ? C14' C15B . 1.566(12) ? C14' H14' . .978(5) ? C14' H14B . .978(5) ? C15' C16' . 1.683(11) ? C15' H15C . .970(11) ? C15' H15D . .970(14) ? C16' C17' . 1.584(12) ? C16' H16C . .970(10) ? C16' H16D . .970(14) ? C15B C16B . 1.554(11) ? C15B H15E . .970(14) ? C15B H15F . .97(2) ? C16B C17' . 1.472(12) ? C16B H16E . .97(2) ? C16B H16F . .970(14) ? C17' O7' . 1.202(6) ? C18' H18D . .960(4) ? C18' H18E . .960(5) ? C18' H18F . .960(5) ? C23' O5' . 1.208(9) ? C23' O6' . 1.339(9) ? O6' C24' . 1.426(9) ? C24' H24D . .960(10) ? C24' H24E . .960(13) ? C24' H24F . .960(9) ? C23B O5B . 1.192(10) ? C23B O6B . 1.296(11) ? O6B C24B . 1.456(11) ? C24B H24G . .960(13) ? C24B H24H . .96(2) ? C24B H24I . .960(13) ? C1' C2' . 1.537(14) ? C1' H1'1 . .97(2) ? C1' H1'2 . .97(3) ? C2' C3' . 1.536(14) ? C2' H2'1 . .970(15) ? C2' H2'2 . .97(2) ? C3' C19' . 1.53(2) ? C3' C4' . 1.537(14) ? C3' C21' . 1.56(2) ? C4' H4'1 . .97(2) ? C4' H4'2 . .97(2) ? C19' O2' . 1.20(2) ? C19' O1' . 1.336(14) ? O1' C20' . 1.444(9) ? C20' H20D . .960(9) ? C20' H20E . .960(9) ? C20' H20F . .960(8) ? C21' O3' . 1.167(12) ? C21' O4' . 1.327(12) ? O4' C22' . 1.437(10) ? C22' H22D . .960(10) ? C22' H22E . .960(10) ? C22' H22F . .960(11) ? C1B C2B . 1.540(15) ? C1B H1B1 . .97(4) ? C1B H1B2 . .97(2) ? C2B C3B . 1.54(2) ? C2B H2B1 . .97(2) ? C2B H2B2 . .97(2) ? C3B C4B . 1.54(2) ? C3B C21B . 1.56(2) ? C3B C19B . 1.65(2) ? C4B H4B1 . .97(2) ? C4B H4B2 . .97(2) ? C19B O2B . 1.20(2) ? C19B O1B . 1.33(2) ? O1B C20B . 1.438(12) ? C20B H20G . .960(12) ? C20B H20H . .960(13) ? C20B H20I . .960(12) ? C21B O3B . 1.169(13) ? C21B O4B . 1.329(13) ? O4B C22B . 1.431(14) ? C22B H22G . .960(11) ? C22B H22H . .960(12) ? C22B H22I . .960(12) ?