#------------------------------------------------------------------------------
#$Date: 2016-02-18 14:25:00 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176728 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/06/8100647.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_8100647
loop_
_publ_author_name
'Ben Sdira, S.'
'Guidicelli, M. B.'
'Bavoux, C.'
'Lamartine, R.'
'Perrin, M.'
_publ_section_title
;
Crystal structure of 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis-
[((R)-2-O-acetylpropanoyl)oxy]calix[4]arene, C₆₄H₈₀O₁₆
;
_journal_issue                   2
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              295
_journal_page_last               297
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C64 H80 O16'
_chemical_formula_sum            'C64 H80 O16'
_chemical_formula_weight         1105.28
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 107.09(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.534(2)
_cell_length_b                   15.352(3)
_cell_length_c                   18.568(4)
_cell_measurement_temperature    223(2)
_cell_volume                     3142.6(11)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.168
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               8100647
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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_thermal_displace_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
O25 O 0.3450(3) 0.1506(3) 0.6198(2) 0.0477(11) Uani 1 2 d . .
O26 O 0.3239(3) 0.3206(3) 0.7453(2) 0.0484(11) Uani 1 2 d . .
O27 O 0.6467(4) 0.1026(3) 0.6487(2) 0.0482(11) Uani 1 2 d . .
O28 O 0.6181(3) 0.2549(3) 0.7786(2) 0.0505(11) Uani 1 2 d . .
C1 C 0.4423(5) -0.0176(5) 0.6093(3) 0.052(2) Uani 1 2 d . .
H1A H 0.4577(5) 0.0283(5) 0.5774(3) 0.062 Uiso 1 2 calc R .
H1B H 0.4431(5) -0.0730(5) 0.5843(3) 0.062 Uiso 1 2 calc R .
C2 C 0.5408(5) -0.0169(4) 0.6858(3) 0.044(2) Uani 1 2 d . .
C3 C 0.5373(5) -0.0782(4) 0.7390(3) 0.049(2) Uani 1 2 d . .
H3 H 0.4743(5) -0.1186(4) 0.7273(3) 0.059 Uiso 1 2 calc R .
C4 C 0.6237(5) -0.0832(4) 0.8103(3) 0.044(2) Uani 1 2 d . .
C5 C 0.7084(5) -0.0162(4) 0.8275(3) 0.048(2) Uani 1 2 d . .
H5 H 0.7635(5) -0.0146(4) 0.8755(3) 0.058 Uiso 1 2 calc R .
C6 C 0.7148(5) 0.0483(4) 0.7768(3) 0.046(2) Uani 1 2 d . .
C7 C 0.8023(5) 0.1240(4) 0.8031(3) 0.045(2) Uani 1 2 d . .
H7A H 0.7963(5) 0.1640(4) 0.7617(3) 0.054 Uiso 1 2 calc R .
H7B H 0.8850(5) 0.1025(4) 0.8206(3) 0.054 Uiso 1 2 calc R .
C8 C 0.7693(5) 0.1703(4) 0.8669(3) 0.044(2) Uani 1 2 d . .
C9 C 0.8244(5) 0.1462(4) 0.9420(3) 0.0418(15) Uani 1 2 d . .
H9 H 0.8907(5) 0.1088(4) 0.9528(3) 0.050 Uiso 1 2 calc R .
C10 C 0.7831(5) 0.1766(4) 1.0018(3) 0.042(2) Uani 1 2 d . .
C11 C 0.6840(5) 0.2317(4) 0.9838(3) 0.044(2) Uani 1 2 d . .
H11 H 0.6546(5) 0.2520(4) 1.0223(3) 0.053 Uiso 1 2 calc R .
C12 C 0.6261(5) 0.2581(4) 0.9097(3) 0.045(2) Uani 1 2 d . .
C13 C 0.5085(5) 0.3100(4) 0.8909(3) 0.046(2) Uani 1 2 d . .
H13A H 0.5067(5) 0.3517(4) 0.8514(3) 0.055 Uiso 1 2 calc R .
H13B H 0.5038(5) 0.3419(4) 0.9351(3) 0.055 Uiso 1 2 calc R .
C14 C 0.4001(5) 0.2479(4) 0.8648(3) 0.044(2) Uani 1 2 d . .
C15 C 0.3878(5) 0.1820(4) 0.9135(3) 0.046(2) Uani 1 2 d . .
H15 H 0.4435(5) 0.1786(4) 0.9612(3) 0.055 Uiso 1 2 calc R .
C16 C 0.2948(5) 0.1210(4) 0.8931(3) 0.043(2) Uani 1 2 d . .
C17 C 0.2194(5) 0.1244(4) 0.8195(4) 0.049(2) Uani 1 2 d . .
H17 H 0.1594(5) 0.0821(4) 0.8040(4) 0.059 Uiso 1 2 calc R .
C18 C 0.2283(5) 0.1872(4) 0.7678(3) 0.045(2) Uani 1 2 d . .
C19 C 0.1515(5) 0.1798(4) 0.6859(3) 0.051(2) Uani 1 2 d . .
H19A H 0.0661(5) 0.1849(4) 0.6821(3) 0.062 Uiso 1 2 calc R .
H19B H 0.1724(5) 0.2258(4) 0.6561(3) 0.062 Uiso 1 2 calc R .
C20 C 0.1771(5) 0.0923(4) 0.6578(3) 0.044(2) Uani 1 2 d . .
C21 C 0.1096(5) 0.0180(5) 0.6625(3) 0.054(2) Uani 1 2 d . .
H21 H 0.0390(5) 0.0252(5) 0.6763(3) 0.065 Uiso 1 2 calc R .
C22 C 0.1413(6) -0.0646(5) 0.6479(4) 0.054(2) Uani 1 2 d . .
C23 C 0.2492(6) -0.0740(5) 0.6294(3) 0.054(2) Uani 1 2 d . .
H23 H 0.2747(6) -0.1297(5) 0.6214(3) 0.065 Uiso 1 2 calc R .
C24 C 0.3194(5) -0.0035(4) 0.6226(3) 0.044(2) Uani 1 2 d . .
C25 C 0.2798(6) 0.0778(4) 0.6339(3) 0.048(2) Uani 1 2 d . .
C26 C 0.3178(5) 0.2519(4) 0.7942(3) 0.043(2) Uani 1 2 d . .
C27 C 0.6323(5) 0.0439(4) 0.7047(3) 0.043(2) Uani 1 2 d . .
C28 C 0.6740(5) 0.2293(4) 0.8540(3) 0.043(2) Uani 1 2 d . .
C40 C 0.6258(5) -0.1540(5) 0.8689(4) 0.053(2) Uani 1 2 d . .
C41 C 0.5138(6) -0.2117(5) 0.8445(4) 0.083(3) Uani 1 2 d . .
H41A H 0.5075(6) -0.2363(5) 0.7959(4) 0.125 Uiso 1 2 calc R .
H41B H 0.4429(6) -0.1775(5) 0.8415(4) 0.125 Uiso 1 2 calc R .
H41C H 0.5204(6) -0.2576(5) 0.8805(4) 0.125 Uiso 1 2 calc R .
C42 C 0.6367(8) -0.1146(6) 0.9457(4) 0.086(3) Uani 1 2 d . .
H42A H 0.7075(8) -0.0783(6) 0.9608(4) 0.129 Uiso 1 2 calc R .
H42B H 0.6435(8) -0.1604(6) 0.9820(4) 0.129 Uiso 1 2 calc R .
H42C H 0.5660(8) -0.0802(6) 0.9429(4) 0.129 Uiso 1 2 calc R .
C43 C 0.7413(6) -0.2091(5) 0.8760(4) 0.075(2) Uani 1 2 d . .
H43A H 0.7367(6) -0.2348(5) 0.8281(4) 0.113 Uiso 1 2 calc R .
H43B H 0.7471(6) -0.2543(5) 0.9127(4) 0.113 Uiso 1 2 calc R .
H43C H 0.8116(6) -0.1724(5) 0.8916(4) 0.113 Uiso 1 2 calc R .
C100 C 0.8479(5) 0.1494(5) 1.0828(3) 0.052(2) Uani 1 2 d . .
C101 C 0.7706(8) 0.1626(8) 1.1337(4) 0.130(5) Uani 1 2 d . .
H10A H 0.7462(8) 0.2225(8) 1.1320(4) 0.194 Uiso 1 2 calc R .
H10B H 0.8159(8) 0.1475(8) 1.1843(4) 0.194 Uiso 1 2 calc R .
H10C H 0.7000(8) 0.1262(8) 1.1175(4) 0.194 Uiso 1 2 calc R .
C102 C 0.8814(11) 0.0552(7) 1.0889(5) 0.135(5) Uani 1 2 d . .
H10D H 0.9316(11) 0.0429(7) 1.0571(5) 0.203 Uiso 1 2 calc R .
H10E H 0.8092(11) 0.0204(7) 1.0734(5) 0.203 Uiso 1 2 calc R .
H10F H 0.9251(11) 0.0417(7) 1.1402(5) 0.203 Uiso 1 2 calc R .
C103 C 0.9620(9) 0.2041(9) 1.1106(5) 0.152(5) Uani 1 2 d . .
H10G H 1.0120(9) 0.1958(9) 1.0779(5) 0.227 Uiso 1 2 calc R .
H10H H 1.0059(9) 0.1867(9) 1.1608(5) 0.227 Uiso 1 2 calc R .
H10I H 0.9402(9) 0.2645(9) 1.1105(5) 0.227 Uiso 1 2 calc R .
C160 C 0.2776(5) 0.0486(4) 0.9461(3) 0.051(2) Uani 1 2 d . .
C161 C 0.1556(6) 0.0639(6) 0.9634(5) 0.095(3) Uani 1 2 d . .
H16A H 0.0906(6) 0.0642(6) 0.9171(5) 0.142 Uiso 1 2 calc R .
H16B H 0.1581(6) 0.1189(6) 0.9884(5) 0.142 Uiso 1 2 calc R .
H16C H 0.1425(6) 0.0181(6) 0.9953(5) 0.142 Uiso 1 2 calc R .
C162 C 0.2761(8) -0.0403(5) 0.9096(4) 0.088(3) Uani 1 2 d . .
H16D H 0.2140(8) -0.0414(5) 0.8620(4) 0.131 Uiso 1 2 calc R .
H16E H 0.2600(8) -0.0845(5) 0.9419(4) 0.131 Uiso 1 2 calc R .
H16F H 0.3535(8) -0.0511(5) 0.9017(4) 0.131 Uiso 1 2 calc R .
C163 C 0.3763(6) 0.0488(5) 1.0211(4) 0.078(2) Uani 1 2 d . .
H16G H 0.3783(6) 0.1046(5) 1.0448(4) 0.117 Uiso 1 2 calc R .
H16H H 0.4533(6) 0.0378(5) 1.0128(4) 0.117 Uiso 1 2 calc R .
H16I H 0.3598(6) 0.0043(5) 1.0530(4) 0.117 Uiso 1 2 calc R .
C220 C 0.0634(6) -0.1446(5) 0.6511(4) 0.067(2) Uani 1 2 d . .
C221 C -0.0258(10) -0.1585(7) 0.5754(5) 0.153(5) Uani 1 2 d . .
H22A H 0.0167(10) -0.1664(7) 0.5385(5) 0.229 Uiso 1 2 calc R .
H22B H -0.0780(10) -0.1086(7) 0.5622(5) 0.229 Uiso 1 2 calc R .
H22C H -0.0736(10) -0.2093(7) 0.5767(5) 0.229 Uiso 1 2 calc R .
C222 C 0.1436(8) -0.2244(6) 0.6795(6) 0.123(4) Uani 1 2 d . .
H22D H 0.1990(8) -0.2120(6) 0.7281(6) 0.184 Uiso 1 2 calc R .
H22E H 0.1884(8) -0.2381(6) 0.6448(6) 0.184 Uiso 1 2 calc R .
H22F H 0.0935(8) -0.2731(6) 0.6833(6) 0.184 Uiso 1 2 calc R .
C223 C -0.0058(9) -0.1325(7) 0.7074(6) 0.125(4) Uani 1 2 d . .
H22G H 0.0502(9) -0.1235(7) 0.7565(6) 0.187 Uiso 1 2 calc R .
H22H H -0.0536(9) -0.1835(7) 0.7080(6) 0.187 Uiso 1 2 calc R .
H22I H -0.0580(9) -0.0828(7) 0.6936(6) 0.187 Uiso 1 2 calc R .
C250 C 0.3047(6) 0.1802(4) 0.5478(4) 0.049(2) Uani 1 2 d . .
O250 O 0.2140(4) 0.1565(4) 0.5027(3) 0.080(2) Uani 1 2 d . .
C251 C 0.3880(6) 0.2490(4) 0.5326(3) 0.051(2) Uani 1 2 d . .
H251 H 0.4727(6) 0.2331(4) 0.5573(3) 0.061 Uiso 1 2 calc R .
O251 O 0.3680(4) 0.2567(3) 0.4528(2) 0.0630(12) Uani 1 2 d . .
C252 C 0.3936(8) 0.1880(6) 0.4165(4) 0.072(2) Uani 1 2 d . .
O252 O 0.4329(5) 0.1213(4) 0.4474(3) 0.081(2) Uani 1 2 d . .
C253 C 0.3640(10) 0.2055(7) 0.3337(4) 0.115(3) Uani 1 2 d . .
H25A H 0.3340(10) 0.2639(7) 0.3233(4) 0.172 Uiso 1 2 calc R .
H25B H 0.3033(10) 0.1651(7) 0.3066(4) 0.172 Uiso 1 2 calc R .
H25C H 0.4358(10) 0.1987(7) 0.3181(4) 0.172 Uiso 1 2 calc R .
C255 C 0.3620(7) 0.3373(5) 0.5594(4) 0.070(2) Uani 1 2 d . .
H25D H 0.4163(7) 0.3794(5) 0.5488(4) 0.106 Uiso 1 2 calc R .
H25E H 0.3731(7) 0.3353(5) 0.6126(4) 0.106 Uiso 1 2 calc R .
H25F H 0.2798(7) 0.3535(5) 0.5337(4) 0.106 Uiso 1 2 calc R .
C260 C 0.2658(7) 0.3927(5) 0.7508(4) 0.062(2) Uani 1 2 d . .
O260 O 0.2153(6) 0.4026(5) 0.7990(4) 0.113(2) Uiso 1 2 d . .
C261 C 0.2772(6) 0.4652(5) 0.7007(4) 0.060(2) Uani 1 2 d . .
H261 H 0.2835(6) 0.4408(5) 0.6532(4) 0.072 Uiso 1 2 calc R .
C265 C 0.3867(7) 0.5204(6) 0.7349(7) 0.133(4) Uani 1 2 d . .
H26D H 0.3906(7) 0.5664(6) 0.7007(7) 0.200 Uiso 1 2 calc R .
H26E H 0.4585(7) 0.4852(6) 0.7447(7) 0.200 Uiso 1 2 calc R .
H26F H 0.3811(7) 0.5450(6) 0.7813(7) 0.200 Uiso 1 2 calc R .
O261 O 0.1757(4) 0.5222(3) 0.6848(3) 0.0657(13) Uani 1 2 d . .
C262 C 0.0695(9) 0.4853(8) 0.6468(7) 0.113(4) Uani 1 2 d . .
O262 O 0.0806(36) 0.4203(23) 0.6135(16) 0.131(11) Uani 0.50 2 d P 1
C263 C -0.0346(23) 0.5522(19) 0.6500(19) 0.079(9) Uani 0.50 2 d P 1
H26A H -0.0011(23) 0.5967(19) 0.6865(19) 0.118 Uiso 0.50 2 calc PR 1
H26B H -0.0974(23) 0.5218(19) 0.6640(19) 0.118 Uiso 0.50 2 calc PR 1
H26C H -0.0679(23) 0.5784(19) 0.6013(19) 0.118 Uiso 0.50 2 calc PR 1
C463 C -0.0254(34) 0.5472(31) 0.6061(45) 0.170(23) Uani 0.50 2 d P 2
H46A H 0.0042(34) 0.6057(31) 0.6164(45) 0.255 Uiso 0.50 2 calc PR 2
H46B H -0.0963(34) 0.5398(31) 0.6224(45) 0.255 Uiso 0.50 2 calc PR 2
H46C H -0.0455(34) 0.5363(31) 0.5529(45) 0.255 Uiso 0.50 2 calc PR 2
O462 O 0.0513(23) 0.4054(17) 0.6417(29) 0.130(14) Uani 0.50 2 d P 2
C270 C 0.7157(8) 0.0697(7) 0.6074(5) 0.082(3) Uani 1 2 d . .
O270 O 0.7346(47) -0.0096(14) 0.6014(23) 0.098(12) Uani 0.57 2 d P 1
O470 O 0.8038(43) 0.0284(44) 0.6444(34) 0.111(21) Uani 0.43 2 d P 2
C271 C 0.7234(7) 0.1322(6) 0.5456(4) 0.069(2) Uani 1 2 d . .
H271 H 0.6435(7) 0.1367(6) 0.5082(4) 0.083 Uiso 1 2 calc R .
O271 O 0.7584(4) 0.2164(4) 0.5787(3) 0.0730(14) Uani 1 2 d . .
C272 C 0.7130(8) 0.2864(6) 0.5344(5) 0.074(2) Uani 1 2 d . .
O272 O 0.6477(5) 0.2776(4) 0.4713(4) 0.109(2) Uani 1 2 d . .
C273 C 0.7571(9) 0.3690(6) 0.5710(5) 0.112(3) Uani 1 2 d . .
H27A H 0.8077(9) 0.3583(6) 0.6213(5) 0.168 Uiso 1 2 calc R .
H27B H 0.6894(9) 0.4045(6) 0.5727(5) 0.168 Uiso 1 2 calc R .
H27C H 0.8031(9) 0.3987(6) 0.5430(5) 0.168 Uiso 1 2 calc R .
C275 C 0.8149(8) 0.1013(6) 0.5070(5) 0.099(3) Uani 1 2 d . .
H27D H 0.8179(8) 0.1419(6) 0.4683(5) 0.149 Uiso 1 2 calc R .
H27E H 0.7912(8) 0.0450(6) 0.4850(5) 0.149 Uiso 1 2 calc R .
H27F H 0.8935(8) 0.0972(6) 0.5433(5) 0.149 Uiso 1 2 calc R .
C280 C 0.6478(6) 0.3341(5) 0.7569(4) 0.060(2) Uani 1 2 d . .
O280 O 0.5964(5) 0.3572(4) 0.6933(3) 0.099(2) Uani 1 2 d . .
C281 C 0.7452(6) 0.3879(4) 0.8110(4) 0.060(2) Uani 1 2 d . .
H281 H 0.7289(6) 0.3898(4) 0.8598(4) 0.072 Uiso 1 2 calc R .
O281 O 0.8572(4) 0.3430(3) 0.8196(2) 0.0582(12) Uani 1 2 d . .
C282 C 0.9407(6) 0.3462(5) 0.8895(5) 0.060(2) Uani 1 2 d . .
O282 O 0.9214(5) 0.3848(4) 0.9405(3) 0.084(2) Uani 1 2 d . .
C283 C 1.0518(6) 0.2970(6) 0.8895(4) 0.082(2) Uani 1 2 d . .
H28A H 1.0416(6) 0.2725(6) 0.8404(4) 0.123 Uiso 1 2 calc R .
H28B H 1.0653(6) 0.2510(6) 0.9261(4) 0.123 Uiso 1 2 calc R .
H28C H 1.1203(6) 0.3356(6) 0.9019(4) 0.123 Uiso 1 2 calc R .
C285 C 0.7510(7) 0.4816(5) 0.7831(5) 0.094(3) Uani 1 2 d . .
H28D H 0.8139(7) 0.5130(5) 0.8191(5) 0.141 Uiso 1 2 calc R .
H28E H 0.6745(7) 0.5100(5) 0.7772(5) 0.141 Uiso 1 2 calc R .
H28F H 0.7681(7) 0.4805(5) 0.7355(5) 0.141 Uiso 1 2 calc R .
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
O25 C250 1.357(7) . ?
O25 C25 1.413(7) . ?
O26 C260 1.313(8) . ?
O26 C26 1.407(7) . ?
O27 C270 1.355(9) . ?
O27 C27 1.422(7) . ?
O28 C280 1.356(8) . ?
O28 C28 1.413(6) . ?
C1 C24 1.524(8) . ?
C1 C2 1.536(8) . ?
C2 C27 1.375(8) . ?
C2 C3 1.375(8) . ?
C3 C4 1.405(8) . ?
C4 C5 1.390(8) . ?
C4 C40 1.534(9) . ?
C5 C6 1.383(8) . ?
C6 C27 1.397(8) . ?
C6 C7 1.522(8) . ?
C7 C8 1.523(8) . ?
C8 C28 1.390(8) . ?
C8 C9 1.402(8) . ?
C9 C10 1.411(8) . ?
C10 C11 1.381(8) . ?
C10 C100 1.527(8) . ?
C11 C12 1.401(8) . ?
C12 C28 1.381(8) . ?
C12 C13 1.522(8) . ?
C13 C14 1.533(8) . ?
C14 C26 1.376(8) . ?
C14 C15 1.393(8) . ?
C15 C16 1.390(8) . ?
C16 C17 1.389(8) . ?
C16 C160 1.536(9) . ?
C17 C18 1.385(8) . ?
C18 C26 1.411(8) . ?
C18 C19 1.524(8) . ?
C19 C20 1.502(9) . ?
C20 C21 1.397(9) . ?
C20 C25 1.400(9) . ?
C21 C22 1.369(9) . ?
C22 C23 1.392(9) . ?
C22 C220 1.533(10) . ?
C23 C24 1.380(9) . ?
C24 C25 1.367(9) . ?
C40 C42 1.520(9) . ?
C40 C41 1.521(9) . ?
C40 C43 1.550(9) . ?
C100 C101 1.492(10) . ?
C100 C102 1.494(11) . ?
C100 C103 1.518(10) . ?
C160 C163 1.517(9) . ?
C160 C162 1.523(10) . ?
C160 C161 1.549(9) . ?
C220 C221 1.493(10) . ?
C220 C223 1.502(12) . ?
C220 C222 1.532(11) . ?
C250 O250 1.189(7) . ?
C250 C251 1.511(9) . ?
C251 O251 1.435(7) . ?
C251 C255 1.504(9) . ?
O251 C252 1.330(9) . ?
C252 O252 1.196(9) . ?
C252 C253 1.498(10) . ?
C260 O260 1.212(8) . ?
C260 C261 1.481(9) . ?
C261 O261 1.422(8) . ?
C261 C265 1.499(11) . ?
O261 C262 1.346(10) . ?
C262 O262 1.20(3) . ?
C262 O462 1.24(3) . ?
C262 C463 1.48(3) . ?
C262 C263 1.59(3) . ?
C270 O470 1.22(3) . ?
C270 O270 1.25(2) . ?
C270 C271 1.519(10) . ?
C271 O271 1.437(9) . ?
C271 C275 1.516(10) . ?
O271 C272 1.361(9) . ?
C272 O272 1.201(9) . ?
C272 C273 1.457(11) . ?
C280 O280 1.208(7) . ?
C280 C281 1.514(9) . ?
C281 O281 1.431(7) . ?
C281 C285 1.537(10) . ?
O281 C282 1.371(8) . ?
C282 O282 1.192(8) . ?
C282 C283 1.488(10) . ?
