#------------------------------------------------------------------------------ #$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $ #$Revision: 14 $ #$URL: svn://www.crystallography.net/cod/cif/2/2006481.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2006481 _journal_name_full 'Acta Crystallographica' _journal_year 1997 _journal_volume C53 _journal_page_first 1259 _journal_page_last 1262 _publ_section_title ; 4-[2,4,6-Tris(1-methylethyl)benzoyl]benzoic Acid (S)-(-)-Proline ; loop_ _publ_author_name 'Fu, Tai Y.' 'Scheffer, John R.' 'Trotter, James' _chemical_formula_moiety 'C23 H28 O3, C5 H9 N O2' _chemical_formula_sum 'C28 H37 N O5 ' _chemical_formula_weight 467.60 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21' loop_ _symmetry_equiv_pos_as_xyz ' +x, +y, +z' ' -x,1/2+y, -z' _cell_length_a 11.650(3) _cell_length_b 8.530(7) _cell_length_c 26.837(3) _cell_angle_alpha 90 _cell_angle_beta 97.600(10) _cell_angle_gamma 90 _cell_volume 2644(2) _cell_formula_units_Z 4 _cell_measurement_temperature 294 _exptl_crystal_density_diffrn 1.175 _diffrn_ambient_temperature 294 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_calc_attached_atom _atom_site_refinement_flags _atom_site_occupancy O1 .0457(2) .7257 .29750(10) .0630(10) Uani d ? . 1.000 O2 .3407(2) .8936(6) .08190(10) .0554(9) Uani d ? . 1.000 O3 .1645(3) .9947(6) .06450(10) .0630(10) Uani d ? . 1.000 O4 .4561(2) .6326(5) .69940(10) .0620(10) Uani d ? . 1.000 O5 .3512(3) .4129(8) .93830(10) .0920(10) Uani d ? . 1.000 O6 .1628(2) .4194(6) .91320(10) .0524(9) Uani d ? . 1.000 O7 .0958(2) .4091(6) .99880(10) .0630(10) Uani d ? . 1.000 O8 .1874(3) .6041(7) 1.0430(2) .0930(10) Uani d ? . 1.000 O9 .5985(3) .4563(8) 1.00390(10) .099(2) Uani d ? . 1.000 O10 .7079(2) .5367(9) 1.0712(2) .120(2) Uani d ? . 1.000 N1 -.0955(3) .4333(8) 1.04170(10) .0690(10) Uani d ? . 1.000 N2 .4050(3) .4754(7) 1.04090(10) .0570(10) Uani d ? . 1.000 C1 .1414(3) .7067(7) .2858(2) .0430(10) Uani d ? . 1.000 C2 .2335(3) .6201(7) .31970(10) .0390(10) Uani d ? . 1.000 C3 .2874(4) .6978(7) .3629(2) .0450(10) Uani d ? . 1.000 C4 .3760(4) .6173(8) .3928(2) .0440(10) Uani d ? . 1.000 C5 .4122(3) .4701(8) .38160(10) .0420(10) Uani d ? . 1.000 C6 .3560(3) .3972(7) .33880(10) .0420(10) Uani d ? . 1.000 C7 .2670(3) .4689(7) .30770(10) .0430(10) Uani d ? . 1.000 C8 .1719(3) .7683(7) .23710(10) .0380(10) Uani d ? . 1.000 C9 .0840(3) .8348(8) .20330(10) .0470(10) Uani d ? . 1.000 C10 .1077(3) .8887(8) .15750(10) .0470(10) Uani d ? . 1.000 C11 .2173(3) .8756(7) .14330(10) .0390(10) Uani d ? . 1.000 C12 .3047(3) .8098(8) .1774(2) .0480(10) Uani d ? . 1.000 C13 .2829(4) .7592(8) .2240(2) .0510(10) Uani d ? . 1.000 C14 .2368(3) .9275(7) .09230(10) .0410(10) Uani d ? . 1.000 C15 .2546(4) .8633(8) .3767(2) .060(2) Uani d ? . 1.000 C16 .5069(3) .3863(8) .41540(10) .0510(10) Uani d ? . 1.000 C17 .2045(4) .3799(8) .2628(2) .0520(10) Uani d ? . 1.000 C18 .2022(5) .8658(9) .4250(2) .096(2) Uani d ? . 1.000 C19 .3583(6) .9740(10) .3817(3) .108(3) Uani d ? . 1.000 C20 .4659(4) .3360(10) .4646(2) .074(2) Uani d ? . 1.000 C21 .6163(4) .4827(9) .4264(2) .070(2) Uani d ? . 1.000 C22 .1207(5) .2610(10) .2790(2) .085(2) Uani d ? . 1.000 C23 .2867(5) .3050(10) .2307(2) .104(3) Uani d ? . 1.000 C24 .3596(3) .6486(7) .7119(2) .0410(10) Uani d ? . 1.000 C25 .2653(3) .7328(7) .67870(10) .0370(10) Uani d ? . 1.000 C26 .2306(3) .8836(7) .69220(10) .0400(10) Uani d ? . 1.000 C27 .1415(3) .9541(7) .66100(10) .0430(10) Uani d ? . 1.000 C28 .0880(3) .8869(7) .61740(10) .0400(10) Uani d ? . 1.000 C29 .1253(4) .7363(7) .6055(2) .0430(10) Uani d ? . 1.000 C30 .2127(3) .6587(7) .6353(2) .0410(10) Uani d ? . 1.000 C31 .3325(3) .5816(7) .76000(10) .0380(10) Uani d ? . 1.000 C32 .2205(3) .5778(8) .7725(2) .0470(10) Uani d ? . 1.000 C33 .1991(3) .5245(8) .81880(10) .0440(10) Uani d ? . 1.000 C34 .2897(3) .4755(7) .85420(10) .0410(10) Uani d ? . 1.000 C35 .4014(3) .4750(8) .84160(10) .0500(10) Uani d ? . 1.000 C36 .4225(3) .5279(8) .79510(10) .0480(10) Uani d ? . 1.000 C37 .2707(4) .4313(8) .90570(10) .0490(10) Uani d ? . 1.000 C38 .2474(4) .4942(8) .6209(2) .0510(10) Uani d ? . 1.000 C39 -.0079(3) .9694(8) .58380(10) .0500(10) Uani d ? . 1.000 C40 .2899(4) .9667(9) .7391(2) .0560(10) Uani d ? . 1.000 C41 .2968(5) .4931(9) .5715(2) .084(2) Uani d ? . 1.000 C42 .1468(6) .3820(10) .6191(3) .099(3) Uani d ? . 1.000 C43 -.1167(4) .8730(10) .5728(2) .069(2) Uani d ? . 1.000 C44 .0342(4) 1.0230(9) .5354(2) .071(2) Uani d ? . 1.000 C45 .3700(6) 1.0950(10) .7241(2) .103(3) Uani d ? . 1.000 C46 .2044(5) 1.0320(10) .7712(2) .106(3) Uani d ? . 1.000 C47 .1039(3) .5159(7) 1.0312(2) .0540(10) Uani d ? . 1.000 C48 .0014(3) .5423(7) 1.0604(2) .0550(10) Uani d ? . 1.000 C49 .0266(4) .4978(9) 1.1150(2) .072(2) Uani d ? . 1.000 C50 -.0016(7) .3330(10) 1.1171(2) .112(3) Uani d ? . 1.000 C51 -.0779(5) .2900(9) 1.0734(2) .084(2) Uani d ? . 1.000 C52 .6139(3) .5090(9) 1.0463(2) .066(2) Uani d ? . 1.000 C53 .5066(3) .5434(8) 1.0712(2) .0570(10) Uani d ? . 1.000 C54 .5091(4) .4600(10) 1.1221(2) .107(3) Uani d ? . 1.000 C55 .4336(9) .325(2) 1.1110(3) .194(5) Uani d ? . 1.000 C56 .3793(5) .3252(9) 1.0631(3) .095(2) Uani d ? . 1.000 H1 -.1688 .4808 1.0450 .080 Uiso c ? . 1.000 H2 -.0950 .4078 1.0069 .080 Uiso c ? . 1.000 H3 .3410 .5421 1.0401 .074 Uiso c ? . 1.000 H4 .4226 .4556 1.0080 .074 Uiso c ? . 1.000 H5 .4116 .6642 .4236 .053 Uiso c ? . 1.000 H6 .3814 .2961 .3308 .054 Uiso c ? . 1.000 H7 .0054 .8405 .2133 .052 Uiso c ? . 1.000 H8 .0452 .9325 .1345 .051 Uiso c ? . 1.000 H9 .3818 .7988 .1691 .054 Uiso c ? . 1.000 H10 .3440 .7176 .2484 .067 Uiso c ? . 1.000 H11 .2005 .8988 .3510 .078 Uiso c ? . 1.000 H12 .5301 .2963 .3992 .055 Uiso c ? . 1.000 H13 .1582 .4546 .2420 .062 Uiso c ? . 1.000 H14 .1728 .9685 .4300 .110 Uiso c ? . 1.000 H15 .1442 .7912 .4243 .110 Uiso c ? . 1.000 H16 .2618 .8446 .4532 .110 Uiso c ? . 1.000 H17 .4147 .9405 .4049 .136 Uiso c ? . 1.000 H18 .3830 .9778 .3482 .136 Uiso c ? . 1.000 H19 .3288 1.0751 .3880 .136 Uiso c ? . 1.000 H20 .4436 .4247 .4812 .080 Uiso c ? . 1.000 H21 .3984 .2711 .4545 .080 Uiso c ? . 1.000 H22 .5228 .2779 .4834 .080 Uiso c ? . 1.000 H23 .6738 .4280 .4467 .086 Uiso c ? . 1.000 H24 .6430 .5094 .3949 .086 Uiso c ? . 1.000 H25 .5989 .5789 .4424 .086 Uiso c ? . 1.000 H26 .0676 .3105 .2978 .100 Uiso c ? . 1.000 H27 .0833 .2066 .2517 .100 Uiso c ? . 1.000 H28 .1660 .1868 .3016 .100 Uiso c ? . 1.000 H29 .3364 .2348 .2526 .132 Uiso c ? . 1.000 H30 .2471 .2503 .2046 .132 Uiso c ? . 1.000 H31 .3347 .3846 .2197 .132 Uiso c ? . 1.000 H32 .1179 1.0555 .6703 .046 Uiso c ? . 1.000 H33 .0874 .6839 .5774 .052 Uiso c ? . 1.000 H34 .1579 .6140 .7504 .050 Uiso c ? . 1.000 H35 .1236 .5190 .8264 .052 Uiso c ? . 1.000 H36 .4625 .4350 .8645 .064 Uiso c ? . 1.000 H37 .4975 .5257 .7880 .061 Uiso c ? . 1.000 H38 .3085 .4559 .6465 .056 Uiso c ? . 1.000 H39 -.0242 1.0620 .6017 .067 Uiso c ? . 1.000 H40 .3358 .8917 .7579 .067 Uiso c ? . 1.000 H41 .3158 .3895 .5634 .110 Uiso c ? . 1.000 H42 .2388 .5331 .5463 .110 Uiso c ? . 1.000 H43 .3632 .5579 .5738 .110 Uiso c ? . 1.000 H44 .1156 .3801 .6494 .113 Uiso c ? . 1.000 H45 .0855 .4197 .5927 .113 Uiso c ? . 1.000 H46 .1671 .2802 .6094 .113 Uiso c ? . 1.000 H47 -.1739 .9362 .5529 .081 Uiso c ? . 1.000 H48 -.1018 .7829 .5550 .081 Uiso c ? . 1.000 H49 -.1444 .8473 .6034 .081 Uiso c ? . 1.000 H50 .0933 1.0955 .5397 .092 Uiso c ? . 1.000 H51 .0563 .9337 .5166 .092 Uiso c ? . 1.000 H52 -.0322 1.0703 .5135 .092 Uiso c ? . 1.000 H53 .4120 1.1388 .7547 .126 Uiso c ? . 1.000 H54 .4236 1.0527 .7047 .126 Uiso c ? . 1.000 H55 .3267 1.1763 .7068 .126 Uiso c ? . 1.000 H56 .2522 1.0836 .8009 .122 Uiso c ? . 1.000 H57 .1570 1.1060 .7553 .122 Uiso c ? . 1.000 H58 .1647 .9498 .7851 .122 Uiso c ? . 1.000 H59 -.0228 .6480 1.0565 .067 Uiso c ? . 1.000 H60 .1062 .5173 1.1280 .082 Uiso c ? . 1.000 H61 -.0210 .5554 1.1348 .082 Uiso c ? . 1.000 H62 .0723 .2756 1.1181 .129 Uiso c ? . 1.000 H63 -.0309 .3117 1.1474 .129 Uiso c ? . 1.000 H64 -.1520 .2575 1.0820 .103 Uiso c ? . 1.000 H65 -.0490 .2089 1.0542 .103 Uiso c ? . 1.000 H66 .4955 .6545 1.0744 .063 Uiso c ? . 1.000 H67 .5854 .4366 1.1354 .125 Uiso c ? . 1.000 H68 .4744 .5262 1.1448 .125 Uiso c ? . 1.000 H69 .4910 .2332 1.1120 .227 Uiso c ? . 1.000 H70 .3881 .3090 1.1343 .227 Uiso c ? . 1.000 H71 .2975 .3198 1.0658 .123 Uiso c ? . 1.000 H72 .3994 .2405 1.0437 .123 Uiso c ? . 1.000 H73 .3736 .9103 .0552 .061 Uiso c ? . 1.000 H74 .1500 .4244 .9491 .140 Uiso c ? . 1.000 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 O1 .035(2) .094(3) .062(2) .012(2) .0180(10) .019(2) O2 .036(2) .086(2) .0450(10) -.005(2) .0100(10) .012(2) O3 .060(2) .086(2) .045(2) .031(2) .0090(10) .023(2) O4 .0350(10) .095(3) .059(2) .011(2) .0160(10) .023(2) O5 .045(2) .190(5) .040(2) .004(2) .0020(10) .010(2) O6 .0330(10) .080(2) .0450(10) -.0040(10) .0100(10) .006(2) O7 .044(2) .096(3) .053(2) -.005(2) .0220(10) .006(2) O8 .052(2) .085(3) .153(4) -.025(2) .053(2) -.029(3) O9 .055(2) .185(5) .063(2) -.006(3) .029(2) -.021(3) O10 .027(2) .205(6) .128(3) -.013(3) .015(2) -.045(4) N1 .026(2) .137(5) .045(2) -.001(2) .0050(10) .003(2) N2 .037(2) .090(3) .046(2) -.007(2) .0120(10) -.008(2) C1 .032(2) .054(3) .042(2) .004(2) .009(2) .004(2) C2 .033(2) .045(3) .039(2) .000(2) .005(2) .007(2) C3 .042(2) .043(3) .047(2) .001(2) .000(2) .002(2) C4 .042(2) .046(3) .044(2) .003(2) .003(2) -.006(2) C5 .037(2) .049(3) .039(2) .009(2) .007(2) .004(2) C6 .043(2) .044(3) .038(2) .002(2) .008(2) -.003(2) C7 .035(2) .056(3) .038(2) .002(2) .006(2) -.003(2) C8 .028(2) .047(3) .041(2) .002(2) .006(2) .006(2) C9 .031(2) .062(3) .048(2) .011(2) .008(2) .009(2) C10 .037(2) .059(3) .042(2) .012(2) .000(2) .012(2) C11 .030(2) .047(3) .040(2) -.006(2) .0050(10) .002(2) C12 .025(2) .066(3) .055(2) -.002(2) .009(2) .012(2) C13 .029(2) .076(4) .047(2) .000(2) .000(2) .019(3) C14 .032(2) .051(3) .041(2) -.004(2) .006(2) .001(2) C15 .064(3) .045(3) .069(3) .007(3) -.002(2) .001(3) C16 .042(2) .063(3) .047(2) .016(3) .003(2) .003(3) C17 .050(3) .059(3) .045(2) .004(3) -.003(2) -.007(2) C18 .089(4) .067(4) .141(5) .002(4) .055(4) -.024(4) C19 .097(5) .063(5) .174(8) -.017(4) .047(5) -.009(5) C20 .067(3) .091(5) .063(3) .012(3) .003(2) .028(3) C21 .038(2) .099(5) .069(3) .014(3) -.002(2) -.003(3) C22 .083(4) .085(5) .084(4) -.034(4) -.001(3) -.018(4) C23 .079(4) .165(8) .070(4) -.002(5) .013(3) -.065(5) C24 .030(2) .047(3) .047(2) .000(2) .005(2) .007(2) C25 .031(2) .042(3) .038(2) .002(2) .008(2) .003(2) C26 .036(2) .045(3) .040(2) -.001(2) .003(2) .001(2) C27 .035(2) .049(3) .045(2) .005(2) .008(2) .001(2) C28 .029(2) .051(3) .040(2) .001(2) .005(2) -.001(2) C29 .041(2) .047(3) .040(2) .005(2) -.001(2) -.002(2) C30 .037(2) .046(3) .042(2) .005(2) .007(2) .004(2) C31 .027(2) .049(3) .039(2) .001(2) .005(2) .005(2) C32 .024(2) .068(3) .047(2) .006(2) .003(2) .011(2) C33 .021(2) .067(3) .042(2) -.005(2) .0000(10) .005(2) C34 .034(2) .056(3) .034(2) -.001(2) .0060(10) .002(2) C35 .028(2) .076(3) .047(2) .012(2) .002(2) .010(2) C36 .027(2) .069(3) .049(2) .007(2) .010(2) .011(3) C37 .043(2) .065(3) .038(2) -.001(2) .004(2) .003(2) C38 .048(2) .045(3) .059(3) .008(2) -.003(2) -.007(2) C39 .042(2) .057(3) .048(2) .018(3) -.003(2) -.001(2) C40 .053(3) .062(3) .048(2) .002(3) -.006(2) -.011(2) C41 .091(4) .067(4) .100(4) .007(4) .039(3) -.023(4) C42 .118(6) .049(4) .139(6) -.016(4) .050(5) .001(4) C43 .041(2) .097(4) .070(3) .011(3) .007(2) .016(3) C44 .067(3) .082(4) .061(3) .008(3) .003(2) .025(3) C45 .108(5) .114(6) .084(4) -.048(5) -.004(4) -.030(4) C46 .084(4) .168(8) .061(3) .028(5) -.004(3) -.047(5) C47 .033(2) .058(3) .076(3) .002(2) .022(2) .014(3) C48 .040(2) .053(3) .077(3) .006(2) .025(2) .014(2) C49 .064(3) .102(4) .054(3) -.018(3) .016(2) -.026(3) C50 .165(7) .096(5) .069(4) -.024(5) -.005(4) .023(4) C51 .086(4) .076(4) .093(4) -.035(3) .023(3) -.017(3) C52 .037(2) .089(4) .075(3) -.001(3) .020(2) -.003(3) C53 .027(2) .073(3) .072(3) -.005(2) .014(2) -.015(2) C54 .043(2) .240(10) .037(2) .025(5) -.002(2) -.028(4) C55 .250(10) .200(10) .111(6) -.090(10) -.062(7) .089(7) C56 .098(5) .077(4) .117(5) -.015(4) .039(4) .001(4) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag O1 C1 . . 1.208(4) no O2 C14 . . 1.310(4) no O2 H73 . . .87 no O3 C14 . . 1.194(5) no O4 C24 . . 1.222(4) no O5 C37 . . 1.206(5) no O6 C37 . . 1.303(5) no O6 H74 . . .99 no O7 C47 . . 1.254(5) no O8 C47 . . 1.237(5) no O9 C52 . . 1.216(6) no O10 C52 . . 1.228(5) no N1 C48 . . 1.497(6) no N1 C51 . . 1.488(8) no N1 H1 . . .96 no N1 H2 . . .96 no N2 C53 . . 1.465(5) no N2 C56 . . 1.460(8) no N2 H3 . . .94 no N2 H4 . . .95 no C1 C2 . . 1.505(6) no C1 C8 . . 1.495(5) no C2 C3 . . 1.410(6) no C2 C7 . . 1.397(6) no C3 C4 . . 1.401(6) no C3 C15 . . 1.521(7) no C4 C5 . . 1.370(7) no C4 H5 . . .96 no C5 C6 . . 1.392(5) no C5 C16 . . 1.513(5) no C6 C7 . . 1.385(5) no C6 H6 . . .95 no C7 C17 . . 1.525(6) no C8 C9 . . 1.395(5) no C8 C13 . . 1.387(5) no C9 C10 . . 1.375(5) no C9 H7 . . .99 no C10 C11 . . 1.384(5) no C10 H8 . . .96 no C11 C12 . . 1.393(5) no C11 C14 . . 1.486(5) no C12 C13 . . 1.379(6) no C12 H9 . . .96 no C13 H10 . . .97 no C15 C18 . . 1.504(7) no C15 C19 . . 1.523(8) no C15 H11 . . .92 no C16 C20 . . 1.522(6) no C16 C21 . . 1.512(7) no C16 H12 . . .94 no C17 C22 . . 1.512(8) no C17 C23 . . 1.510(7) no C17 H13 . . .96 no C18 H14 . . .96 no C18 H15 . . .93 no C18 H16 . . .97 no C19 H17 . . .89 no C19 H18 . . .98 no C19 H19 . . .96 no C20 H20 . . .93 no C20 H21 . . .97 no C20 H22 . . .92 no C21 H23 . . .93 no C21 H24 . . .97 no C21 H25 . . .96 no C22 H26 . . .95 no C22 H27 . . .92 no C22 H28 . . .98 no C23 H29 . . .97 no C23 H30 . . .92 no C23 H31 . . .95 no C24 C25 . . 1.503(6) no C24 C31 . . 1.485(6) no C25 C26 . . 1.411(6) no C25 C30 . . 1.394(6) no C26 C27 . . 1.382(5) no C26 C40 . . 1.528(6) no C27 C28 . . 1.375(5) no C27 H32 . . .95 no C28 C29 . . 1.406(6) no C28 C39 . . 1.514(5) no C29 C30 . . 1.378(6) no C29 H33 . . .93 no C30 C38 . . 1.524(7) no C31 C32 . . 1.390(5) no C31 C36 . . 1.391(5) no C32 C33 . . 1.378(5) no C32 H34 . . .93 no C33 C34 . . 1.387(5) no C33 H35 . . .93 no C34 C35 . . 1.387(5) no C34 C37 . . 1.478(5) no C35 C36 . . 1.378(5) no C35 H36 . . .94 no C36 H37 . . .92 no C38 C41 . . 1.512(7) no C38 C42 . . 1.508(8) no C38 H38 . . .98 no C39 C43 . . 1.507(7) no C39 C44 . . 1.518(6) no C39 H39 . . .96 no C40 C45 . . 1.527(9) no C40 C46 . . 1.507(7) no C40 H40 . . .94 no C41 H41 . . .94 no C41 H42 . . .95 no C41 H43 . . .95 no C42 H44 . . .93 no C42 H45 . . .99 no C42 H46 . . .95 no C43 H47 . . .96 no C43 H48 . . .93 no C43 H49 . . .95 no C44 H50 . . .92 no C44 H51 . . .97 no C44 H52 . . .99 no C45 H53 . . .97 no C45 H54 . . .94 no C45 H55 . . .94 no C46 H56 . . 1.01 no C46 H57 . . .91 no C46 H58 . . .95 no C47 C48 . . 1.528(5) no C48 C49 . . 1.504(6) no C48 H59 . . .95 no C49 C50 . . 1.440(10) no C49 H60 . . .96 no C49 H61 . . .95 no C50 C51 . . 1.423(8) no C50 H62 . . .99 no C50 H63 . . .94 no C51 H64 . . .96 no C51 H65 . . .95 no C52 C53 . . 1.523(5) no C53 C54 . . 1.534(8) no C53 H66 . . .96 no C54 C55 . . 1.460(10) no C54 H67 . . .94 no C54 H68 . . .96 no C55 C56 . . 1.357(9) no C55 H69 . . 1.03 no C55 H70 . . .88 no C56 H71 . . .97 no C56 H72 . . .94 no