#------------------------------------------------------------------------------
#$Date: 2025-08-04 09:03:09 +0200 (Mon 04 de Aug de 2025) $
#$Revision: 301442 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/13/7051383.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_7051383
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              17
_journal_page_last               24
_journal_paper_doi               10.1039/a806501b
_journal_volume                  23
_journal_year                    1999
_chemical_formula_sum            'C28 H36 Co2 O10'
_chemical_formula_weight         650.43
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                99.27(4)
_cell_angle_beta                 100.71(5)
_cell_angle_gamma                90.21(5)
_cell_formula_units_Z            4
_cell_length_a                   8.937(6)
_cell_length_b                   14.084(8)
_cell_length_c                   23.760(10)
_cell_measurement_temperature    223(2)
_cell_volume                     2898(3)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.465
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'YES' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (89 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               7051383
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.0000 0.0000 0.5000 0.0358(2) Uani 1 2 d S . .
C1 C -0.0332(9) -0.1016(3) 0.4268(2) 0.096(3) Uani 1 1 d G . .
H1 H -0.0310 -0.1681 0.4247 0.115 Uiso 1 1 calc R . .
C2 C 0.0931(5) -0.0392(5) 0.4283(2) 0.099(3) Uani 1 1 d G . .
H2 H 0.1925 -0.0575 0.4274 0.118 Uiso 1 1 calc R . .
C3 C 0.0408(7) 0.0563(4) 0.4314(2) 0.098(3) Uani 1 1 d G . .
H3 H 0.1000 0.1114 0.4329 0.117 Uiso 1 1 calc R . .
C4 C -0.1178(7) 0.0528(4) 0.4319(2) 0.094(3) Uani 1 1 d G . .
H4 H -0.1807 0.1053 0.4337 0.112 Uiso 1 1 calc R . .
C5 C -0.1635(5) -0.0448(5) 0.4290(2) 0.091(3) Uani 1 1 d G . .
H5 H -0.2616 -0.0675 0.4286 0.109 Uiso 1 1 calc R . .
Co2 Co -1.0000 -0.5000 0.5000 0.0360(2) Uani 1 2 d S . .
C6 C -1.1654(5) -0.5378(6) 0.4284(2) 0.099(3) Uani 1 1 d G . .
H6 H -1.2662 -0.5555 0.4276 0.119 Uiso 1 1 calc R . .
C7 C -1.1076(7) -0.4427(4) 0.4313(2) 0.103(3) Uani 1 1 d G . .
H7 H -1.1638 -0.3872 0.4328 0.124 Uiso 1 1 calc R . .
C8 C -0.9488(7) -0.4472(4) 0.4316(2) 0.091(3) Uani 1 1 d G . .
H8 H -0.8827 -0.3952 0.4333 0.109 Uiso 1 1 calc R . .
C9 C -0.9085(5) -0.5450(5) 0.4288(2) 0.092(3) Uani 1 1 d G . .
H9 H -0.8114 -0.5684 0.4283 0.110 Uiso 1 1 calc R . .
C10 C -1.0424(9) -0.6010(3) 0.4268(2) 0.095(2) Uani 1 1 d G . .
H10 H -1.0484 -0.6674 0.4249 0.114 Uiso 1 1 calc R . .
Co3 Co -1.12825(6) 0.25385(4) 0.24321(3) 0.03584(17) Uani 1 1 d . . .
C11 C -1.101(2) 0.3978(19) 0.2739(6) 0.065(7) Uani 0.50 1 d PG A 1
H11 H -1.0577 0.4251 0.3118 0.078 Uiso 0.50 1 calc PR A 1
C12 C -1.0203(9) 0.3699(13) 0.2280(10) 0.050(5) Uani 0.50 1 d PG A 1
H12 H -0.9155 0.3759 0.2305 0.060 Uiso 0.50 1 calc PR A 1
C13 C -1.128(2) 0.3314(10) 0.1775(6) 0.044(4) Uani 0.50 1 d PG A 1
H13 H -1.1062 0.3077 0.1412 0.053 Uiso 0.50 1 calc PR A 1
C14 C -1.2750(13) 0.3354(8) 0.1923(6) 0.041(4) Uani 0.50 1 d PG A 1
H14 H -1.3663 0.3149 0.1673 0.049 Uiso 0.50 1 calc PR A 1
C15 C -1.2580(16) 0.3764(15) 0.2519(6) 0.045(4) Uani 0.50 1 d PG A 1
H15 H -1.3363 0.3874 0.2728 0.054 Uiso 0.50 1 calc PR A 1
C11A C -1.141(3) 0.3965(17) 0.2719(6) 0.059(6) Uani 0.50 1 d PG A 2
H11A H -1.1461 0.4256 0.3094 0.071 Uiso 0.50 1 calc PR A 2
C12A C -1.0055(14) 0.3796(16) 0.2491(8) 0.062(6) Uani 0.50 1 d PG A 2
H12A H -0.9066 0.3957 0.2691 0.074 Uiso 0.50 1 calc PR A 2
C13A C -1.048(2) 0.3337(10) 0.1904(7) 0.049(4) Uani 0.50 1 d PG A 2
H13A H -0.9811 0.3145 0.1652 0.059 Uiso 0.50 1 calc PR A 2
C14A C -1.209(2) 0.3223(9) 0.1769(6) 0.058(5) Uani 0.50 1 d PG A 2
H14A H -1.2665 0.2943 0.1413 0.070 Uiso 0.50 1 calc PR A 2
C15A C -1.2664(13) 0.3611(14) 0.2273(11) 0.059(6) Uani 0.50 1 d PG A 2
H15A H -1.3686 0.3630 0.2305 0.071 Uiso 0.50 1 calc PR A 2
C16 C -1.1599(5) 0.1788(3) 0.30613(15) 0.0681(17) Uani 1 1 d G A .
H16 H -1.1956 0.2026 0.3398 0.082 Uiso 1 1 calc R . .
C17 C -1.2507(3) 0.1381(3) 0.25191(19) 0.0611(15) Uani 1 1 d G A .
H17 H -1.3564 0.1306 0.2439 0.073 Uiso 1 1 calc R . .
C18 C -1.1519(4) 0.1109(3) 0.21213(14) 0.0572(14) Uani 1 1 d G A .
H18 H -1.1814 0.0825 0.1735 0.069 Uiso 1 1 calc R . .
C19 C -1.0000(4) 0.1348(3) 0.24177(18) 0.0613(15) Uani 1 1 d G A .
H19 H -0.9126 0.1247 0.2259 0.074 Uiso 1 1 calc R . .
C20 C -1.0049(4) 0.1767(3) 0.29987(16) 0.0660(17) Uani 1 1 d G A .
H20 H -0.9214 0.1989 0.3287 0.079 Uiso 1 1 calc R . .
Co4 Co -1.12848(6) -0.24614(4) 0.24321(3) 0.03571(17) Uani 1 1 d . . .
C21 C -1.1953(5) -0.3231(3) 0.29978(16) 0.0667(17) Uani 1 1 d G . .
H21 H -1.2501 -0.3007 0.3286 0.080 Uiso 1 1 calc R . .
C22 C -1.0342(5) -0.3212(3) 0.30607(15) 0.0687(17) Uani 1 1 d G . .
H22 H -0.9648 -0.2975 0.3398 0.082 Uiso 1 1 calc R . .
C23 C -0.9975(3) -0.3620(3) 0.25186(19) 0.0599(14) Uani 1 1 d G . .
H23 H -0.8999 -0.3697 0.2438 0.072 Uiso 1 1 calc R . .
C24 C -1.1359(5) -0.3890(3) 0.21207(14) 0.0555(13) Uani 1 1 d G . .
H24 H -1.1450 -0.4175 0.1734 0.067 Uiso 1 1 calc R . .
C25 C -1.2583(3) -0.3650(3) 0.24168(18) 0.0626(15) Uani 1 1 d G . .
H25 H -1.3614 -0.3749 0.2258 0.075 Uiso 1 1 calc R . .
C26 C -1.1083(6) -0.1013(3) 0.27460(19) 0.0728(18) Uani 1 1 d G . .
H26 H -1.0924 -0.0720 0.3133 0.087 Uiso 1 1 calc R . .
C27 C -1.2520(4) -0.1251(3) 0.2376(3) 0.078(2) Uani 1 1 d G . .
H27 H -1.3468 -0.1142 0.2479 0.094 Uiso 1 1 calc R . .
C28 C -1.2257(8) -0.1686(3) 0.1823(2) 0.121(4) Uani 1 1 d G . .
H28 H -1.3002 -0.1912 0.1499 0.145 Uiso 1 1 calc R . .
C29 C -1.0658(9) -0.1717(4) 0.1851(3) 0.129(5) Uani 1 1 d G . .
H29 H -1.0171 -0.1966 0.1548 0.154 Uiso 1 1 calc R . .
C30 C -0.9932(4) -0.1301(4) 0.2421(3) 0.093(3) Uani 1 1 d G . .
H30 H -0.8887 -0.1229 0.2558 0.112 Uiso 1 1 calc R . .
Co5 Co 1.0000 0.0000 0.0000 0.0365(2) Uani 1 2 d S . .
C31 C 0.8654(7) -0.0708(3) 0.0411(2) 0.088(2) Uani 1 1 d G . .
H31 H 0.8223 -0.1327 0.0292 0.106 Uiso 1 1 calc R . .
C32 C 0.7986(5) 0.0152(5) 0.0261(2) 0.086(2) Uani 1 1 d G . .
H32 H 0.7040 0.0196 0.0027 0.103 Uiso 1 1 calc R . .
C33 C 0.9014(8) 0.0934(3) 0.0532(3) 0.104(3) Uani 1 1 d G . .
H33 H 0.8861 0.1579 0.0507 0.125 Uiso 1 1 calc R . .
C34 C 1.0319(6) 0.0557(5) 0.0850(2) 0.109(3) Uani 1 1 d G . .
H34 H 1.1170 0.0912 0.1068 0.131 Uiso 1 1 calc R . .
C35 C 1.0096(6) -0.0458(5) 0.0775(2) 0.091(2) Uani 1 1 d G . .
H35 H 1.0776 -0.0884 0.0935 0.110 Uiso 1 1 calc R . .
Co6 Co 0.5000 0.5000 0.0000 0.0363(2) Uani 1 2 d S . .
C36 C 0.5673(6) 0.4549(5) 0.0775(2) 0.098(3) Uani 1 1 d G . .
H36 H 0.5148 0.4123 0.0937 0.117 Uiso 1 1 calc R . .
C37 C 0.6759(6) 0.4298(3) 0.0415(2) 0.087(2) Uani 1 1 d G . .
H37 H 0.7072 0.3680 0.0298 0.104 Uiso 1 1 calc R . .
C38 C 0.7285(5) 0.5157(5) 0.0262(2) 0.086(2) Uani 1 1 d G . .
H38 H 0.8002 0.5201 0.0029 0.103 Uiso 1 1 calc R . .
C39 C 0.6524(7) 0.5939(3) 0.0529(3) 0.106(3) Uani 1 1 d G . .
H39 H 0.6655 0.6584 0.0501 0.127 Uiso 1 1 calc R . .
C40 C 0.5527(6) 0.5562(5) 0.0846(2) 0.109(4) Uani 1 1 d G . .
H40 H 0.4891 0.5918 0.1062 0.131 Uiso 1 1 calc R . .
C51 C 0.3984(3) 0.45651(14) 0.30997(8) 0.0289(8) Uani 1 1 d G . .
C52 C 0.4015(3) 0.36083(16) 0.31789(8) 0.0312(9) Uani 1 1 d G . .
H52 H 0.4184 0.3458 0.3552 0.037 Uiso 1 1 calc R . .
C53 C 0.3791(3) 0.28763(12) 0.27003(10) 0.0319(9) Uani 1 1 d G . .
H53 H 0.3812 0.2236 0.2753 0.038 Uiso 1 1 calc R . .
C54 C 0.3537(3) 0.31011(14) 0.21425(9) 0.0291(9) Uani 1 1 d G . .
C55 C 0.3507(3) 0.40579(16) 0.20633(8) 0.0300(8) Uani 1 1 d G . .
H55 H 0.3337 0.4208 0.1690 0.036 Uiso 1 1 calc R . .
C56 C 0.3730(3) 0.47899(12) 0.25419(10) 0.0297(8) Uani 1 1 d G . .
H56 H 0.3710 0.5430 0.2489 0.036 Uiso 1 1 calc R . .
C57 C 0.4272(5) 0.5361(3) 0.36221(19) 0.0353(9) Uani 1 1 d . . .
O1 O 0.4534(4) 0.5143(2) 0.41161(14) 0.0468(8) Uani 1 1 d . . .
O2 O 0.4219(5) 0.6208(2) 0.35180(16) 0.0664(12) Uani 1 1 d . . .
C58 C 0.3380(5) 0.2302(3) 0.1621(2) 0.0366(10) Uani 1 1 d . . .
O3 O 0.3466(5) 0.1466(2) 0.17165(15) 0.0550(9) Uani 1 1 d . . .
O4 O 0.3192(5) 0.2553(3) 0.11255(15) 0.0565(9) Uani 1 1 d . . .
C59 C 0.3606(3) 0.81007(14) 0.21423(9) 0.0291(8) Uani 1 1 d G . .
C60 C 0.3910(3) 0.78761(12) 0.27000(10) 0.0322(9) Uani 1 1 d G . .
H60 H 0.3944 0.7236 0.2753 0.039 Uiso 1 1 calc R . .
C61 C 0.4165(3) 0.86082(16) 0.31786(8) 0.0309(9) Uani 1 1 d G . .
H61 H 0.4369 0.8458 0.3552 0.037 Uiso 1 1 calc R . .
C62 C 0.4116(3) 0.95649(14) 0.30993(8) 0.0285(8) Uani 1 1 d G . .
C63 C 0.3811(3) 0.97895(12) 0.25416(10) 0.0296(8) Uani 1 1 d G . .
H63 H 0.3778 1.0430 0.2489 0.035 Uiso 1 1 calc R . .
C64 C 0.3556(3) 0.90575(16) 0.20630(8) 0.0304(9) Uani 1 1 d G . .
H64 H 0.3352 0.9208 0.1690 0.037 Uiso 1 1 calc R . .
C65 C 0.3246(5) 0.7308(3) 0.1622(2) 0.0369(10) Uani 1 1 d . . .
O5 O 0.3253(4) 0.6466(2) 0.17179(15) 0.0549(9) Uani 1 1 d . . .
O6 O 0.2937(5) 0.7551(2) 0.11273(14) 0.0566(10) Uani 1 1 d . . .
C66 C 0.4352(5) 1.0360(3) 0.3621(2) 0.0358(10) Uani 1 1 d . . .
O7 O 0.4299(5) 1.1209(2) 0.35197(16) 0.0661(11) Uani 1 1 d . . .
O8 O 0.4583(4) 1.0143(2) 0.41150(14) 0.0469(8) Uani 1 1 d . . .
O9 O 0.5130(4) 1.1287(2) 0.51990(15) 0.0535(9) Uani 1 1 d . . .
O10 O 0.4932(4) 0.3712(2) 0.48024(15) 0.0536(9) Uani 1 1 d . . .
O11 O 0.2468(4) 0.7392(3) 0.42073(18) 0.0607(10) Uani 1 1 d . . .
O12 O 0.2539(4) 0.2363(3) 0.42199(18) 0.0588(10) Uani 1 1 d . . .
O13 O 0.6688(4) 0.7360(3) 0.42187(18) 0.0601(10) Uani 1 1 d . . .
O14 O 0.6743(4) 0.2388(3) 0.41998(19) 0.0617(10) Uani 1 1 d . . .
O15 O 0.5049(5) 0.8396(3) 0.06543(17) 0.0631(10) Uani 1 1 d . . .
O16 O 0.5480(5) 0.1964(3) 0.05372(19) 0.0731(12) Uani 1 1 d . . .
O17 O 0.5318(5) 0.0354(3) 0.1073(2) 0.0750(12) Uani 1 1 d . . .
O18 O 0.0596(5) 0.3396(3) 0.06517(17) 0.0649(10) Uani 1 1 d . . .
O19 O 0.0765(5) 0.5354(3) 0.1075(2) 0.0747(12) Uani 1 1 d . . .
O20 O 0.0073(5) 0.6962(3) 0.05365(18) 0.0720(11) Uani 1 1 d . . .
H90 H 0.5265 1.0826 0.5397 0.090 Uiso 1 1 d . . .
H91 H 0.4905 1.1049 0.4829 0.050 Uiso 1 1 d . . .
H100 H 0.4844 0.4176 0.4595 0.090 Uiso 1 1 d . . .
H101 H 0.5063 0.3950 0.5166 0.090 Uiso 1 1 d . . .
H110 H 0.3145 0.7005 0.4027 0.090 Uiso 1 1 d . . .
H120 H 0.3237 0.1970 0.4000 0.050 Uiso 1 1 d . . .
H130 H 0.6196 0.7666 0.4435 0.090 Uiso 1 1 d . . .
H131 H 0.5771 0.7027 0.3994 0.090 Uiso 1 1 d . . .
H140 H 0.6286 0.2719 0.4450 0.090 Uiso 1 1 d . . .
H141 H 0.5858 0.2033 0.4001 0.090 Uiso 1 1 d . . .
H180 H 0.1429 0.3199 0.0892 0.090 Uiso 1 1 d . . .
H190 H 0.4435 0.2156 0.0688 0.090 Uiso 1 1 d . . .
H200 H 0.4573 0.0651 0.1290 0.090 Uiso 1 1 d . . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 C4 2.011(4) . yes
Co1 C4 2.011(4) 2_556 ?
Co1 C3 2.013(4) 2_556 ?
Co1 C3 2.013(4) . yes
Co1 C5 2.029(5) 2_556 ?
Co1 C5 2.029(5) . yes
Co1 C2 2.032(5) 2_556 ?
Co1 C2 2.032(5) . yes
Co1 C1 2.041(5) . yes
Co1 C1 2.041(5) 2_556 ?
C1 C5 1.4200 . yes
C1 C2 1.4200 . ?
C1 H1 0.9300 . yes
C2 C3 1.4200 . ?
C2 H2 0.9300 . ?
C3 C4 1.4200 . ?
C3 H3 0.9300 . ?
C4 C5 1.4200 . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
Co2 C8 2.017(4) 2_346 ?
Co2 C8 2.017(4) . yes
Co2 C9 2.026(5) . yes
Co2 C9 2.026(5) 2_346 ?
Co2 C7 2.021(5) 2_346 ?
Co2 C7 2.021(5) . yes
Co2 C10 2.036(5) . yes
Co2 C10 2.036(5) 2_346 ?
Co2 C6 2.032(5) . yes
Co2 C6 2.032(5) 2_346 ?
C6 C7 1.4200 . ?
C6 C10 1.4200 . ?
C6 H6 0.9300 . ?
C7 C8 1.4200 . ?
C7 H7 0.9300 . ?
C8 C9 1.4200 . ?
C8 H8 0.9300 . ?
C9 C10 1.4200 . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
Co3 C14A 2.001(11) . yes
Co3 C15A 1.993(15) . yes
Co3 C12 2.011(16) . yes
Co3 C17 2.019(4) . yes
Co3 C13 2.045(11) . yes
Co3 C18 2.025(4) . yes
Co3 C13A 2.037(11) . yes
Co3 C16 2.024(4) . yes
Co3 C19 2.034(4) . yes
Co3 C20 2.034(4) . yes
Co3 C11A 2.02(2) . yes
Co3 C11 2.04(2) . yes
C11 C15 1.4200 . yes
C11 C12 1.4200 . yes
C11 H11 0.9300 . ?
C12 C13 1.4200 . ?
C12 H12 0.9300 . ?
C13 C14 1.4200 . ?
C13 H13 0.9300 . ?
C14 C15 1.4200 . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C11A C12A 1.4200 . ?
C11A C15A 1.4200 . ?
C11A H11A 0.9300 . ?
C12A C13A 1.4200 . ?
C12A H12A 0.9300 . ?
C13A C14A 1.4200 . ?
C13A H13A 0.9300 . ?
C14A C15A 1.4200 . ?
C14A H14A 0.9300 . ?
C15A H15A 0.9300 . ?
C16 C17 1.4200 . ?
C16 C20 1.4200 . ?
C16 H16 0.9300 . ?
C17 C18 1.4200 . ?
C17 H17 0.9300 . ?
C18 C19 1.4200 . ?
C18 H18 0.9300 . ?
C19 C20 1.4200 . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
Co4 C28 2.023(4) . yes
Co4 C29 2.018(4) . yes
Co4 C24 2.026(4) . yes
Co4 C25 2.025(4) . yes
Co4 C23 2.027(4) . yes
Co4 C21 2.025(4) . yes
Co4 C22 2.027(4) . yes
Co4 C27 2.043(4) . yes
Co4 C30 2.036(4) . yes
Co4 C26 2.051(4) . yes
C21 C22 1.4200 . ?
C21 C25 1.4200 . ?
C21 H21 0.9300 . ?
C22 C23 1.4200 . ?
C22 H22 0.9300 . ?
C23 C24 1.4200 . ?
C23 H23 0.9300 . ?
C24 C25 1.4200 . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 C27 1.4200 . ?
C26 C30 1.4200 . ?
C26 H26 0.9300 . ?
C27 C28 1.4200 . ?
C27 H27 0.9300 . ?
C28 C29 1.4200 . ?
C28 H28 0.9300 . ?
C29 C30 1.4200 . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
Co5 C33 1.998(4) . yes
Co5 C33 1.998(4) 2_755 ?
Co5 C32 2.012(4) 2_755 ?
Co5 C32 2.012(4) . yes
Co5 C34 2.011(4) 2_755 ?
Co5 C34 2.012(4) . yes
Co5 C31 2.034(4) . yes
Co5 C31 2.034(4) 2_755 ?
Co5 C35 2.033(5) . yes
Co5 C35 2.033(5) 2_755 ?
C31 C35 1.4200 . ?
C31 C32 1.4200 . ?
C31 H31 0.9300 . ?
C32 C33 1.4200 . ?
C32 H32 0.9300 . ?
C33 C34 1.4200 . ?
C33 H33 0.9300 . ?
C34 C35 1.4200 . ?
C34 H34 0.9300 . ?
C35 H35 0.9300 . ?
Co6 C39 1.999(5) 2_665 ?
Co6 C39 1.999(5) . yes
Co6 C40 2.005(4) . yes
Co6 C40 2.005(4) 2_665 ?
Co6 C38 2.022(4) 2_665 ?
Co6 C38 2.022(4) . yes
Co6 C36 2.032(5) . yes
Co6 C36 2.032(5) 2_665 ?
Co6 C37 2.042(4) . yes
Co6 C37 2.042(4) 2_665 ?
C36 C40 1.4200 . ?
C36 C37 1.4200 . ?
C36 H36 0.9300 . ?
C37 C38 1.4200 . ?
C37 H37 0.9300 . ?
C38 C39 1.4200 . ?
C38 H38 0.9300 . ?
C39 C40 1.4200 . ?
C39 H39 0.9300 . ?
C40 H40 0.9300 . ?
C51 C52 1.3900 . ?
C51 C56 1.3900 . ?
C51 C57 1.515(5) . yes
C52 C53 1.3900 . yes
C52 H52 0.9300 . yes
C53 C54 1.3900 . yes
C53 H53 0.9300 . yes
C54 C55 1.3900 . yes
C54 C58 1.519(5) . yes
C55 C56 1.3900 . yes
C55 H55 0.9300 . yes
C56 H56 0.9300 . yes
C57 O2 1.256(5) . yes
C57 O1 1.242(5) . yes
C58 O3 1.235(5) . yes
C58 O4 1.265(6) . yes
C59 C60 1.3900 . yes
C59 C64 1.3900 . yes
C59 C65 1.510(5) . yes
C60 C61 1.3900 . yes
C60 H60 0.9300 . yes
C61 C62 1.3900 . yes
C61 H61 0.9300 . yes
C62 C63 1.3900 . yes
C62 C66 1.513(5) . yes
C63 C64 1.3900 . yes
C63 H63 0.9300 . yes
C64 H64 0.9300 . yes
C65 O5 1.243(5) . yes
C65 O6 1.260(6) . yes
C66 O7 1.256(5) . yes
C66 O8 1.241(5) . yes
O9 H90 0.8573 . yes
O9 H91 0.8743 . yes
O10 H100 0.8751 . yes
O10 H101 0.8610 . yes
O11 H110 0.9323 . yes
O12 H120 0.9999 . yes
O13 H130 0.8105 . yes
O13 H131 0.9651 . yes
O14 H140 0.8605 . yes
O14 H141 0.9384 . yes
O16 H190 1.0809 . yes
O17 H200 0.9721 . yes
O18 H180 0.9228 . yes
