#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/8/8000058.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_8000058
_journal_name_full             'Chemistry Letters'
_journal_year                  2005
_journal_volume                34
_journal_page_first            1160
_publ_section_title
;
 A Novel Diterpenoid from Euphorbia fischeriana
;
_chemical_formula_sum 'C29 H34 O10'
loop_
_publ_author_name
 'Yu-Bo Wang'
 'Guang-Min Yao'
 'Hong-Bing Wang'
 'Guo-Wei Qin'
_cell_measurement_temperature  293(2)
_diffrn_ambient_temperature    293(2)
_cell_length_a       7.6049(6)
_cell_length_b       20.3114(17)
_cell_length_c       19.2794(15)
_cell_angle_alpha    90.00
_cell_angle_beta     91.721(2)
_cell_angle_gamma    90.00
_cell_volume          2976.67
_symmetry_space_group_name_H-M    'P 21'
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
O1 1 0.6067(4) 0.5183(2) 0.8058(2) 1 0.0489(10) Uani d .
H1 1 0.6074 0.4781 0.8099 1 0.073 Uiso calc R
O2 1 0.2615(5) 0.63481(18) 0.80413(18) 1 0.0493(10) Uani d .
O3 1 0.5444(6) 0.6523(2) 0.8369(2) 1 0.0597(11) Uani d .
O4 1 0.3481(4) 0.44514(16) 0.87619(17) 1 0.0381(8) Uani d .
O5 1 0.0599(5) 0.57545(19) 0.89493(18) 1 0.0481(10) Uani d .
O6 1 0.1464(6) 0.6261(2) 0.9933(2) 1 0.0626(12) Uani d .
O7 1 0.6753(5) 0.47649(19) 1.08533(17) 1 0.0494(10) Uani d .
H7 1 0.7258 0.4554 1.1162 1 0.074 Uiso calc R
O8 1 0.8083(5) 0.3796(2) 1.1443(2) 1 0.0538(11) Uani d .
O9 1 0.6673(5) 0.26849(18) 0.97273(19) 1 0.0511(10) Uani d .
O10 1 0.0690(5) 0.3374(2) 0.2402(2) 1 0.0629(12) Uani d .
H10 1 0.0236 0.3515 0.2041 1 0.094 Uiso calc R
O11 1 0.2636(6) 0.4726(2) 0.3339(2) 1 0.0640(12) Uani d .
O12 1 -0.0179(6) 0.4665(3) 0.2952(2) 1 0.0842(15) Uani d .
O13 1 0.3738(5) 0.3574(2) 0.16244(18) 1 0.0507(10) Uani d .
O14 1 0.5055(6) 0.5033(2) 0.2410(2) 1 0.0691(13) Uani d .
O15 1 0.3691(8) 0.5820(3) 0.1798(3) 1 0.0995(18) Uani d .
O16 1 0.0151(5) 0.4462(2) -0.0169(2) 1 0.0567(11) Uani d .
H15 1 -0.0634 0.4350 -0.0445 1 0.085 Uiso calc R
O17 1 -0.0627(5) 0.3745(2) -0.1189(2) 1 0.0623(12) Uani d .
O18 1 0.1847(5) 0.2214(2) -0.0225(2) 1 0.0589(12) Uani d .
O19 1 0.6960(7) 0.3929(3) 0.7690(3) 1 0.0784(14) Uani d D
O20 1 0.565(3) 0.2761(11) 0.7125(10) 0.75 0.258(7) Uiso d PD
C1 1 0.4129(7) 0.4686(3) 0.6444(3) 1 0.0561(16) Uani d .
H1A 1 0.4575 0.5097 0.6262 1 0.067 Uiso calc R
H1B 1 0.5066 0.4483 0.6721 1 0.067 Uiso calc R
C2 1 0.3629(9) 0.4230(4) 0.5837(3) 1 0.072(2) Uani d .
H2A 1 0.3206 0.3812 0.6010 1 0.087 Uiso calc R
H2B 1 0.4647 0.4147 0.5558 1 0.087 Uiso calc R
C3 1 0.2135(9) 0.4582(4) 0.5384(3) 1 0.083(2) Uani d .
H3A 1 0.2609 0.4984 0.5192 1 0.100 Uiso calc R
H3B 1 0.1797 0.4297 0.4999 1 0.100 Uiso calc R
C4 1 0.0511(8) 0.4750(4) 0.5782(3) 1 0.0640(18) Uani d .
C5 1 0.1085(7) 0.5148(3) 0.6450(3) 1 0.0508(15) Uani d .
H5 1 0.1607 0.5553 0.6273 1 0.061 Uiso calc R
C6 1 -0.0439(7) 0.5382(3) 0.6878(3) 1 0.0523(16) Uani d .
H6A 1 -0.1401 0.5517 0.6568 1 0.063 Uiso calc R
H6B 1 -0.0851 0.5019 0.7157 1 0.063 Uiso calc R
C7 1 0.0063(7) 0.5944(3) 0.7343(3) 1 0.0489(15) Uani d .
H7A 1 0.0317 0.6330 0.7067 1 0.059 Uiso calc R
H7B 1 -0.0903 0.6049 0.7641 1 0.059 Uiso calc R
C8 1 0.1646(7) 0.5759(3) 0.7774(3) 1 0.0394(13) Uani d .
C9 1 0.3101(6) 0.5399(2) 0.7398(2) 1 0.0367(12) Uani d .
H9 1 0.3597 0.5732 0.7093 1 0.044 Uiso calc R
C10 1 0.2565(7) 0.4835(3) 0.6913(2) 1 0.0387(13) Uani d .
C11 1 0.4364(7) 0.5410(3) 0.8082(3) 1 0.0397(13) Uani d .
C12 1 0.4316(8) 0.6151(3) 0.8188(3) 1 0.0468(15) Uani d .
C13 1 0.3206(7) 0.5162(3) 0.8677(3) 1 0.0386(13) Uani d .
C14 1 0.1338(7) 0.5347(3) 0.8421(2) 1 0.0378(13) Uani d .
H14A 1 0.0613 0.4958 0.8318 1 0.045 Uiso calc R
C15 1 0.3373(7) 0.5501(2) 0.9357(2) 1 0.0352(12) Uani d .
C16 1 0.1805(7) 0.5892(3) 0.9463(3) 1 0.0428(14) Uani d .
C17 1 0.4418(7) 0.5282(3) 0.9860(3) 1 0.0419(14) Uani d .
H17 1 0.4615 0.5535 1.0256 1 0.050 Uiso calc R
C18 1 -0.0562(10) 0.4141(4) 0.5926(4) 1 0.085(2) Uani d .
H18A 1 -0.1007 0.3960 0.5495 1 0.127 Uiso calc R
H18B 1 -0.1528 0.4255 0.6212 1 0.127 Uiso calc R
H18C 1 0.0167 0.3821 0.6161 1 0.127 Uiso calc R
C19 1 -0.0601(10) 0.5201(4) 0.5287(3) 1 0.090(2) Uani d .
H19A 1 -0.0152 0.5642 0.5311 1 0.125 Uiso calc R
H19B 1 -0.1804 0.5198 0.5424 1 0.125 Uiso calc R
H19C 1 -0.0534 0.5041 0.4820 1 0.125 Uiso calc R
C20 1 0.2063(8) 0.4194(3) 0.7285(3) 1 0.0503(15) Uani d .
H20A 1 0.0977 0.4257 0.7517 1 0.075 Uiso calc R
H20B 1 0.2974 0.4079 0.7618 1 0.075 Uiso calc R
H20C 1 0.1926 0.3846 0.6950 1 0.075 Uiso calc R
C21 1 0.5253(6) 0.4655(3) 0.9799(2) 1 0.0361(12) Uani d .
C22 1 0.6295(6) 0.4367(3) 1.0339(3) 1 0.0408(13) Uani d .
C23 1 0.6731(6) 0.3689(3) 1.0344(3) 1 0.0356(12) Uani d .
C24 1 0.6146(7) 0.3322(3) 0.9744(3) 1 0.0417(13) Uani d .
C25 1 0.5121(6) 0.3594(3) 0.9219(2) 1 0.0367(12) Uani d .
H25 1 0.4740 0.3339 0.8843 1 0.044 Uiso calc R
C26 1 0.4672(6) 0.4238(3) 0.9257(3) 1 0.0353(12) Uani d .
C27 1 0.7592(7) 0.3422(3) 1.0958(3) 1 0.0445(14) Uani d .
C28 1 0.7903(8) 0.2701(3) 1.1060(3) 1 0.0583(17) Uani d .
H28A 1 0.8491 0.2630 1.1501 1 0.087 Uiso calc R
H28B 1 0.8622 0.2538 1.0697 1 0.087 Uiso calc R
H28C 1 0.6797 0.2474 1.1048 1 0.087 Uiso calc R
C29 1 0.6152(9) 0.2294(3) 0.9129(3) 1 0.0603(17) Uani d .
H29A 1 0.4899 0.2317 0.9059 1 0.090 Uiso calc R
H29B 1 0.6497 0.1844 0.9206 1 0.090 Uiso calc R
H29C 1 0.6715 0.2461 0.8726 1 0.090 Uiso calc R
C30 1 0.2974(9) 0.2406(3) 0.3476(4) 1 0.074(2) Uani d .
H30A 1 0.2379 0.2305 0.3037 1 0.089 Uiso calc R
H30B 1 0.2092 0.2543 0.3799 1 0.089 Uiso calc R
C31 1 0.3910(11) 0.1781(4) 0.3758(5) 1 0.094(3) Uani d .
H31A 1 0.3047 0.1437 0.3825 1 0.113 Uiso calc R
H31B 1 0.4735 0.1626 0.3420 1 0.113 Uiso calc R
C32 1 0.4868(11) 0.1915(4) 0.4427(4) 1 0.082(2) Uani d .
H32A 1 0.5488 0.1519 0.4574 1 0.098 Uiso calc R
H32B 1 0.4018 0.2018 0.4777 1 0.098 Uiso calc R
C33 1 0.6209(9) 0.2490(3) 0.4390(3) 1 0.0662(19) Uani d .
C34 1 0.5312(8) 0.3091(3) 0.4063(3) 1 0.0486(15) Uani d .
H34 1 0.4422 0.3221 0.4394 1 0.058 Uiso calc R
C35 1 0.6489(8) 0.3710(3) 0.3990(3) 1 0.0608(17) Uani d .
H35A 1 0.7232 0.3754 0.4405 1 0.073 Uiso calc R
H35B 1 0.7249 0.3648 0.3601 1 0.073 Uiso calc R
C36 1 0.5439(8) 0.4346(3) 0.3881(3) 1 0.0618(18) Uani d .
H36A 1 0.4829 0.4455 0.4301 1 0.074 Uiso calc R
H36B 1 0.6231 0.4705 0.3779 1 0.074 Uiso calc R
C37 1 0.4146(8) 0.4256(3) 0.3295(3) 1 0.0503(15) Uani d .
C38 1 0.3143(7) 0.3603(3) 0.3270(3) 1 0.0451(14) Uani d .
H38 1 0.2380 0.3616 0.3670 1 0.054 Uiso calc R
C39 1 0.4258(7) 0.2968(3) 0.3372(3) 1 0.0468(14) Uani d .
C40 1 0.1957(8) 0.3819(3) 0.2650(3) 1 0.0512(15) Uani d .
C41 1 0.1235(10) 0.4446(4) 0.2983(3) 1 0.0598(17) Uani d .
C42 1 0.3264(8) 0.4101(3) 0.2079(3) 1 0.0514(16) Uani d .
C43 1 0.4826(8) 0.4351(3) 0.2562(3) 1 0.0514(15) Uani d .
H43 1 0.5905 0.4099 0.2491 1 0.062 Uiso calc R
C44 1 0.2743(8) 0.4699(3) 0.1690(3) 1 0.0537(15) Uani d .
C45 1 0.3793(11) 0.5238(4) 0.1964(4) 1 0.070(2) Uani d .
C46 1 0.1953(7) 0.4658(3) 0.1060(3) 1 0.0516(15) Uani d .
H46 1 0.1543 0.5035 0.0834 1 0.062 Uiso calc R
C47 1 0.7877(10) 0.2248(4) 0.4024(5) 1 0.101(3) Uani d .
H47A 1 0.7549 0.1932 0.3673 1 0.132 Uiso calc R
H47B 1 0.8667 0.2046 0.4359 1 0.132 Uiso calc R
H47C 1 0.8450 0.2615 0.3814 1 0.132 Uiso calc R
C48 1 0.6748(12) 0.2656(4) 0.5177(4) 1 0.102(3) Uani d .
H48A 1 0.7567 0.3016 0.5189 1 0.133 Uiso calc R
H48B 1 0.7284 0.2277 0.5391 1 0.133 Uiso calc R
H48C 1 0.5717 0.2776 0.5423 1 0.133 Uiso calc R
C49 1 0.5446(9) 0.2786(4) 0.2751(3) 1 0.074(2) Uani d .
H49A 1 0.6212 0.3148 0.2655 1 0.111 Uiso calc R
H49B 1 0.4717 0.2694 0.2347 1 0.111 Uiso calc R
H49C 1 0.6137 0.2404 0.2869 1 0.111 Uiso calc R
C50 1 0.1754(8) 0.4032(3) 0.0745(3) 1 0.0510(15) Uani d .
C51 1 0.0926(7) 0.3934(3) 0.0096(3) 1 0.0470(15) Uani d .
C52 1 0.1012(7) 0.3324(3) -0.0250(3) 1 0.0453(14) Uani d .
C53 1 0.1901(7) 0.2802(3) 0.0089(3) 1 0.0463(14) Uani d .
C54 1 0.2775(7) 0.2883(3) 0.0740(3) 1 0.0462(14) Uani d .
H54 1 0.3375 0.2536 0.0953 1 0.055 Uiso calc R
C55 1 0.2712(7) 0.3490(3) 0.1047(3) 1 0.0466(15) Uani d .
C56 1 0.0262(7) 0.3286(4) -0.0957(3) 1 0.0566(17) Uani d .
C57 1 0.0572(10) 0.2724(4) -0.1433(4) 1 0.085(2) Uani d .
H57A 1 0.0172 0.2838 -0.1894 1 0.128 Uiso calc R
H57B 1 -0.0061 0.2345 -0.1278 1 0.128 Uiso calc R
H57C 1 0.1807 0.2625 -0.1433 1 0.128 Uiso calc R
C58 1 0.2618(10) 0.1667(3) 0.0112(4) 1 0.072(2) Uani d .
H58A 1 0.3866 0.1731 0.0158 1 0.108 Uiso calc R
H58B 1 0.2377 0.1277 -0.0157 1 0.108 Uiso calc R
H58C 1 0.2135 0.1619 0.0563 1 0.108 Uiso calc R
H59 1 0.476(4) 0.2771(15) 0.7425(14) 1 0.026(8) Uiso d D
H60 1 0.687(5) 0.272(3) 0.703(3) 1 0.08(2) Uiso d D
H61 1 0.705(8) 0.359(2) 0.736(3) 1 0.07(2) Uiso d D
H62 1 0.772(8) 0.412(4) 0.802(3) 1 0.11(3) Uiso d D
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
O1 0.033(2) 0.064(3) 0.049(2) 0.004(2) -0.0028(17) 0.0002(19)
O2 0.061(3) 0.041(2) 0.045(2) -0.0021(18) -0.0102(19) 0.000(2)
O3 0.069(3) 0.050(3) 0.059(3) 0.003(2) -0.020(2) -0.023(2)
O4 0.039(2) 0.036(2) 0.038(2) 0.0004(16) -0.0074(16) 0.0023(16)
O5 0.047(2) 0.056(3) 0.042(2) -0.0070(19) 0.0002(18) 0.012(2)
O6 0.075(3) 0.062(3) 0.051(3) -0.016(2) -0.001(2) 0.014(2)
O7 0.056(3) 0.059(3) 0.033(2) -0.001(2) -0.0132(18) -0.004(2)
O8 0.053(3) 0.064(3) 0.043(2) 0.007(2) -0.0126(19) -0.003(2)
O9 0.058(3) 0.042(3) 0.053(2) 0.0033(19) -0.005(2) 0.011(2)
O10 0.048(3) 0.084(3) 0.056(3) 0.024(2) -0.007(2) -0.008(2)
O11 0.083(3) 0.057(3) 0.053(2) -0.004(2) 0.011(2) 0.014(3)
O12 0.071(3) 0.098(4) 0.084(3) 0.003(3) 0.005(3) 0.032(3)
O13 0.045(2) 0.069(3) 0.038(2) 0.003(2) -0.0065(18) 0.000(2)
O14 0.085(3) 0.064(3) 0.058(3) 0.006(2) -0.011(3) -0.021(3)
O15 0.147(5) 0.072(4) 0.079(4) 0.014(3) -0.014(3) -0.018(4)
O16 0.045(2) 0.076(3) 0.048(2) 0.018(2) -0.0042(18) 0.001(2)
O17 0.048(3) 0.087(4) 0.051(2) 0.007(2) -0.011(2) 0.001(2)
O18 0.065(3) 0.066(3) 0.045(2) 0.002(2) -0.015(2) 0.002(2)
O19 0.081(4) 0.091(4) 0.063(3) 0.000(3) -0.014(3) 0.025(3)
C1 0.058(4) 0.073(4) 0.037(3) -0.005(3) 0.002(3) 0.008(3)
C2 0.076(5) 0.096(6) 0.045(4) -0.020(4) 0.005(3) 0.017(4)
C3 0.086(5) 0.118(7) 0.044(4) -0.025(4) -0.011(4) 0.014(5)
C4 0.061(4) 0.075(5) 0.055(4) -0.008(4) -0.020(3) 0.009(4)
C5 0.050(4) 0.060(4) 0.042(3) -0.004(3) -0.002(3) -0.001(3)
C6 0.045(3) 0.064(4) 0.047(3) 0.007(3) -0.004(3) 0.008(3)
C7 0.049(4) 0.053(4) 0.044(3) 0.005(3) -0.008(3) 0.007(3)
C8 0.042(3) 0.031(3) 0.045(3) -0.003(2) 0.000(3) -0.001(3)
C9 0.037(3) 0.039(3) 0.034(3) 0.007(2) -0.004(2) -0.004(2)
C10 0.039(3) 0.045(3) 0.032(3) -0.006(2) -0.002(2) -0.007(3)
C11 0.039(3) 0.040(3) 0.039(3) 0.003(2) -0.003(2) -0.005(3)
C12 0.057(4) 0.049(4) 0.033(3) 0.005(3) -0.009(3) -0.012(3)
C13 0.045(3) 0.034(3) 0.037(3) 0.006(2) 0.001(2) -0.003(2)
C14 0.037(3) 0.042(3) 0.035(3) 0.001(2) 0.003(2) 0.008(2)
C15 0.044(3) 0.035(3) 0.026(3) 0.005(2) -0.003(2) 0.001(2)
C16 0.051(4) 0.043(4) 0.035(3) 0.003(3) -0.004(3) 0.001(3)
C17 0.042(3) 0.039(3) 0.045(3) -0.011(3) 0.006(3) -0.017(3)
C18 0.075(5) 0.096(6) 0.082(5) -0.026(4) -0.024(4) -0.015(5)
C19 0.096(6) 0.118(7) 0.053(4) -0.013(4) -0.027(4) 0.019(5)
C20 0.052(4) 0.050(4) 0.048(3) -0.008(3) -0.006(3) 0.002(3)
C21 0.033(3) 0.040(3) 0.035(3) 0.002(2) -0.003(2) -0.004(2)
C22 0.032(3) 0.058(4) 0.032(3) -0.003(3) 0.003(2) -0.008(3)
C23 0.026(3) 0.046(3) 0.035(3) 0.004(2) -0.001(2) 0.006(2)
C24 0.041(3) 0.043(4) 0.041(3) 0.007(3) 0.009(3) 0.003(3)
C25 0.037(3) 0.041(3) 0.031(3) -0.001(2) -0.007(2) -0.002(2)
C26 0.027(3) 0.043(3) 0.035(3) 0.009(2) -0.002(2) -0.004(2)
C27 0.032(3) 0.054(4) 0.047(4) 0.009(3) 0.004(3) 0.001(3)
C28 0.051(4) 0.065(4) 0.059(4) 0.022(3) -0.004(3) 0.003(3)
C29 0.075(5) 0.045(4) 0.061(4) -0.007(3) -0.011(3) 0.005(3)
C30 0.073(5) 0.055(5) 0.092(5) 0.012(4) -0.029(4) -0.012(4)
C31 0.104(6) 0.056(5) 0.121(7) 0.015(5) -0.035(5) -0.013(4)
C32 0.114(7) 0.064(5) 0.066(5) 0.007(4) -0.032(5) -0.002(4)
C33 0.072(5) 0.063(5) 0.062(4) -0.006(3) -0.017(4) 0.001(4)
C34 0.055(4) 0.057(4) 0.033(3) -0.004(3) -0.012(3) 0.002(3)
C35 0.065(4) 0.074(5) 0.043(3) -0.005(3) -0.014(3) -0.012(4)
C36 0.076(5) 0.061(4) 0.047(4) 0.001(3) -0.015(3) -0.014(4)
C37 0.063(4) 0.050(4) 0.038(3) -0.003(3) 0.001(3) 0.006(3)
C38 0.048(3) 0.058(4) 0.030(3) 0.000(3) 0.003(3) -0.002(3)
C39 0.048(3) 0.051(4) 0.040(3) -0.012(3) -0.003(3) 0.001(3)
C40 0.047(4) 0.063(4) 0.043(3) 0.001(3) 0.000(3) -0.004(3)
C41 0.067(5) 0.072(5) 0.041(4) 0.006(3) 0.006(3) 0.015(4)
C42 0.052(4) 0.067(4) 0.035(3) -0.004(3) 0.006(3) -0.005(3)
C43 0.055(4) 0.055(4) 0.044(3) 0.003(3) -0.002(3) -0.014(3)
C44 0.060(4) 0.058(4) 0.043(3) 0.009(3) 0.006(3) -0.006(3)
C45 0.100(6) 0.057(5) 0.054(4) 0.010(4) -0.004(4) -0.010(4)
C46 0.051(4) 0.056(4) 0.049(4) 0.015(3) 0.010(3) 0.000(3)
C47 0.071(6) 0.098(7) 0.133(7) -0.004(6) -0.020(5) 0.024(5)
C48 0.159(8) 0.076(6) 0.068(5) 0.013(4) -0.059(5) -0.012(5)
C49 0.085(5) 0.089(6) 0.047(4) -0.003(4) -0.008(3) 0.030(4)
C50 0.051(4) 0.059(4) 0.043(3) 0.011(3) 0.006(3) -0.004(3)
C51 0.035(3) 0.072(5) 0.034(3) 0.017(3) -0.002(3) 0.006(3)
C52 0.032(3) 0.070(4) 0.033(3) 0.004(3) -0.004(2) 0.000(3)
C53 0.037(3) 0.060(4) 0.042(3) 0.009(3) 0.005(3) -0.003(3)
C54 0.040(3) 0.064(4) 0.035(3) 0.006(3) 0.000(3) -0.004(3)
C55 0.037(3) 0.069(4) 0.033(3) 0.005(3) 0.000(3) -0.006(3)
C56 0.032(3) 0.084(5) 0.054(4) 0.016(4) 0.001(3) -0.001(3)
C57 0.081(5) 0.108(6) 0.065(5) -0.021(4) -0.024(4) 0.021(5)
C58 0.080(5) 0.050(4) 0.085(5) -0.003(4) -0.012(4) 0.000(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
O1 C11 1.377(6)
O1 H1 0.8200
O2 C12 1.375(7)
O2 C8 1.489(6)
O3 C12 1.189(6)
O4 C26 1.367(5)
O4 C13 1.467(6)
O5 C16 1.358(6)
O5 C14 1.440(6)
O6 C16 1.209(6)
O7 C22 1.318(6)
O7 H7 0.8200
O8 C27 1.253(6)
O9 C24 1.355(6)
O9 C29 1.445(6)
O10 C40 1.396(7)
O10 H10 0.8200
O11 C41 1.373(8)
O11 C37 1.498(7)
O12 C41 1.163(7)
O13 C55 1.351(6)
O13 C42 1.436(7)
O14 C45 1.336(8)
O14 C43 1.429(7)
O15 C45 1.226(8)
O16 C51 1.319(7)
O16 H15 0.8200
O17 C56 1.228(7)
O18 C53 1.338(7)
O18 C58 1.407(7)
O19 H61 0.94(3)
O19 H62 0.93(3)
O20 H59 0.90(2)
O20 H60 0.95(3)
C1 C2 1.531(8)
C1 C10 1.545(7)
C1 H1A 0.9700
C1 H1B 0.9700
C2 C3 1.583(9)
C2 H2A 0.9700
C2 H2B 0.9700
C3 C4 1.512(9)
C3 H3A 0.9700
C3 H3B 0.9700
C4 C18 1.513(10)
C4 C19 1.554(9)
C4 C5 1.572(8)
C5 C6 1.519(8)
C5 C10 1.552(7)
C5 H5 0.9800
C6 C7 1.494(8)
C6 H6A 0.9700
C6 H6B 0.9700
C7 C8 1.490(7)
C7 H7A 0.9700
C7 H7B 0.9700
C8 C14 1.525(7)
C8 C9 1.528(7)
C9 C10 1.527(7)
C9 C11 1.608(7)
C9 H9 0.9800
C10 C20 1.539(7)
C11 C12 1.519(8)
C11 C13 1.550(7)
C13 C15 1.483(7)
C13 C14 1.537(7)
C14 H14A 0.9800
C15 C17 1.312(7)
C15 C16 1.453(7)
C17 C21 1.428(7)
C17 H17 0.9300
C18 H18A 0.9600
C18 H18B 0.9600
C18 H18C 0.9600
C19 H19A 0.9600
C19 H19B 0.9600
C19 H19C 0.9600
C20 H20A 0.9600
C20 H20B 0.9600
C20 H20C 0.9600
C21 C26 1.406(7)
C21 C22 1.416(7)
C22 C23 1.415(7)
C23 C24 1.435(7)
C23 C27 1.442(7)
C24 C25 1.375(7)
C25 C26 1.354(7)
C25 H25 0.9300
C27 C28 1.495(8)
C28 H28A 0.9600
C28 H28B 0.9600
C28 H28C 0.9600
C29 H29A 0.9600
C29 H29B 0.9600
C29 H29C 0.9600
C30 C39 1.518(8)
C30 C31 1.546(9)
C30 H30A 0.9700
C30 H30B 0.9700
C31 C32 1.488(9)
C31 H31A 0.9700
C31 H31B 0.9700
C32 C33 1.553(10)
C32 H32A 0.9700
C32 H32B 0.9700
C33 C34 1.526(8)
C33 C47 1.550(10)
C33 C48 1.595(9)
C34 C35 1.551(8)
C34 C39 1.554(7)
C34 H34 0.9800
C35 C36 1.530(9)
C35 H35A 0.9700
C35 H35B 0.9700
C36 C37 1.487(8)
C36 H36A 0.9700
C36 H36B 0.9700
C37 C38 1.530(8)
C37 C43 1.533(7)
C38 C40 1.539(7)
C38 C39 1.553(8)
C38 H38 0.9800
C39 C49 1.566(8)
C40 C41 1.536(9)
C40 C42 1.611(8)
C42 C44 1.477(8)
C42 C43 1.571(8)
C43 H43 0.9800
C44 C46 1.340(7)
C44 C45 1.445(9)
C46 C50 1.416(8)
C46 H46 0.9300
C47 H47A 0.9600
C47 H47B 0.9600
C47 H47C 0.9600
C48 H48A 0.9600
C48 H48B 0.9600
C48 H48C 0.9600
C49 H49A 0.9600
C49 H49B 0.9600
C49 H49C 0.9600
C50 C51 1.399(7)
C50 C55 1.433(8)
C51 C52 1.408(8)
C52 C53 1.409(8)
C52 C56 1.464(8)
C53 C54 1.412(7)
C54 C55 1.369(8)
C54 H54 0.9300
C56 C57 1.488(9)
C57 H57A 0.9600
C57 H57B 0.9600
C57 H57C 0.9600
C58 H58A 0.9600
C58 H58B 0.9600
C58 H58C 0.9600