#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:04:46 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180372 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/41/7204100.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_7204100
loop_
_publ_author_name
'Praveen, Thoniyot'
'Das, Tanya'
'Sureshan, Kana M.'
'Shashidhar, Mysore S.'
'Samanta, Uttamkumar'
'Pal, Debnath'
'Chakrabarti, Pinak'
_publ_section_title
;
 Silver(i) oxide--silver halide mediated alcoholysis of
 O-benzoyl-myo-inositol 1,3,5-orthoformates: intramolecular assistance
 by the sulfonyl group
;
_journal_issue                   2
_journal_name_full
'Journal of the Chemical Society, Perkin Transactions 2'
_journal_page_first              358
_journal_paper_doi               10.1039/b101476p
_journal_year                    2002
_chemical_compound_source        synthesized
_chemical_formula_moiety         'C22 H20 O8'
_chemical_formula_sum            'C22 H20 O8'
_chemical_formula_weight         412.38
_chemical_melting_point          502.5(5)
_chemical_name_systematic
;
racemic 2,6-di-O-benzoyl-4-O-methyl-myo-inositol-1,3,5-orthoformate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                118.136(6)
_cell_angle_beta                 90.390(7)
_cell_angle_gamma                90.057(6)
_cell_formula_units_Z            4
_cell_length_a                   10.442(4)
_cell_length_b                   14.706(6)
_cell_length_c                   14.775(6)
_cell_measurement_reflns_used    6498
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.032
_cell_measurement_theta_min      2.49
_cell_volume                     2000.7(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device       'Bruker Smart APEX'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'Omega Scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0569
_diffrn_reflns_av_sigmaI/netI    0.0568
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14191
_diffrn_reflns_theta_full        25.09
_diffrn_reflns_theta_max         25.09
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    0.105
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.639309
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.369
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             864
_exptl_crystal_size_max          0.349
_exptl_crystal_size_mid          0.291
_exptl_crystal_size_min          0.246
_refine_diff_density_max         0.182
_refine_diff_density_min         -0.170
_refine_diff_density_rms         0.043
_refine_ls_extinction_coef       0.0008(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     544
_refine_ls_number_reflns         7019
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          0.0952
_refine_ls_R_factor_gt           0.0643
_refine_ls_shift/su_max          0.026
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0606P)²+0.6806P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1592
_refine_ls_wR_factor_ref         0.1742
_reflns_number_gt                4650
_reflns_number_total             7019
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b101476p.txt
_cod_data_source_block           methylether_6
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/adriana/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'multiscan' changed to
'multi-scan' according to
'/home/adriana/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 

The following automatic conversions were performed:

'_chemical_melting_point' value '502-503 K' was changed to '502.5(5)'
- the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 
;
_cod_original_cell_volume        2000.8(13)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7204100
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
C1 C 0.8630(3) 0.2971(2) 1.0011(2) 0.0566(7) Uani 1 1 d . . .
H1 H 0.7834 0.3065 1.0391 0.068 Uiso 1 1 calc R . .
C2 C 0.8333(3) 0.2592(2) 0.8884(2) 0.0540(7) Uani 1 1 d . . .
H2 H 0.7943 0.1903 0.8586 0.065 Uiso 1 1 calc R . .
C3 C 0.9572(3) 0.2554(2) 0.8343(2) 0.0585(8) Uani 1 1 d . . .
H3 H 0.9393 0.2370 0.7625 0.070 Uiso 1 1 calc R . .
C4 C 1.0463(3) 0.1755(2) 0.8394(3) 0.0679(9) Uani 1 1 d . . .
H4 H 1.1277 0.1760 0.8071 0.081 Uiso 1 1 calc R . .
C5 C 1.0707(3) 0.2081(2) 0.9523(3) 0.0642(8) Uani 1 1 d . . .
H5 H 1.1293 0.1595 0.9588 0.077 Uiso 1 1 calc R . .
C6 C 0.9500(3) 0.2208(2) 1.0154(2) 0.0604(8) Uani 1 1 d . . .
H6 H 0.9730 0.2485 1.0880 0.072 Uiso 1 1 calc R . .
C7 C 1.0473(3) 0.3809(3) 0.9875(3) 0.0708(9) Uani 1 1 d . . .
H7 H 1.0914 0.4478 1.0186 0.085 Uiso 1 1 calc R . .
C8 C 0.6225(3) 0.3182(2) 0.8861(2) 0.0600(8) Uani 1 1 d . . .
C9 C 0.5429(3) 0.3884(2) 0.8632(2) 0.0595(8) Uani 1 1 d . . .
C10 C 0.4123(3) 0.3956(3) 0.8836(3) 0.0798(10) Uani 1 1 d . . .
H10 H 0.3765 0.3561 0.9111 0.096 Uiso 1 1 calc R . .
C11 C 0.3358(4) 0.4598(4) 0.8640(4) 0.1039(15) Uani 1 1 d . . .
H11 H 0.2491 0.4654 0.8798 0.125 Uiso 1 1 calc R . .
C12 C 0.3879(5) 0.5162(4) 0.8208(3) 0.1071(16) Uani 1 1 d . . .
H12 H 0.3353 0.5585 0.8060 0.129 Uiso 1 1 calc R . .
C13 C 0.5169(5) 0.5111(3) 0.7992(3) 0.0941(12) Uani 1 1 d . . .
H13 H 0.5511 0.5499 0.7704 0.113 Uiso 1 1 calc R . .
C14 C 0.5953(3) 0.4471(3) 0.8210(3) 0.0751(10) Uani 1 1 d . . .
H14 H 0.6825 0.4436 0.8075 0.090 Uiso 1 1 calc R . .
C15 C 0.8063(3) 0.1086(3) 1.0415(3) 0.0680(9) Uani 1 1 d . . .
C16 C 0.7530(3) 0.0017(3) 0.9947(3) 0.0680(9) Uani 1 1 d . . .
C17 C 0.6558(4) -0.0201(3) 1.0446(4) 0.0943(13) Uani 1 1 d . . .
H17 H 0.6238 0.0317 1.1058 0.113 Uiso 1 1 calc R . .
C18 C 0.6058(5) -0.1193(5) 1.0033(6) 0.1240(19) Uani 1 1 d . . .
H18 H 0.5400 -0.1333 1.0370 0.149 Uiso 1 1 calc R . .
C19 C 0.6512(6) -0.1951(5) 0.9155(6) 0.129(2) Uani 1 1 d . . .
H19 H 0.6172 -0.2612 0.8893 0.155 Uiso 1 1 calc R . .
C20 C 0.7467(6) -0.1761(3) 0.8642(4) 0.1124(17) Uani 1 1 d . . .
H20 H 0.7771 -0.2292 0.8031 0.135 Uiso 1 1 calc R . .
C21 C 0.7996(4) -0.0763(3) 0.9036(3) 0.0846(11) Uani 1 1 d . . .
H21 H 0.8648 -0.0630 0.8689 0.102 Uiso 1 1 calc R . .
C22 C 1.0725(5) -0.0072(3) 0.7583(4) 0.1238(18) Uani 1 1 d . . .
H22A H 1.1486 0.0020 0.7274 0.186 Uiso 1 1 calc R . .
H22B H 1.0306 -0.0702 0.7112 0.186 Uiso 1 1 calc R . .
H22C H 1.0951 -0.0104 0.8198 0.186 Uiso 1 1 calc R . .
C1' C 0.3633(3) 0.7028(2) 0.4972(2) 0.0558(7) Uani 1 1 d . . .
H1' H 0.2827 0.6942 0.4596 0.067 Uiso 1 1 calc R . .
C2' C 0.4515(3) 0.7792(2) 0.4833(2) 0.0605(8) Uani 1 1 d . . .
H2' H 0.4722 0.7520 0.4105 0.073 Uiso 1 1 calc R . .
C3' C 0.5735(3) 0.7898(2) 0.5446(3) 0.0652(8) Uani 1 1 d . . .
H3' H 0.6325 0.8380 0.5378 0.078 Uiso 1 1 calc R . .
C4' C 0.5523(3) 0.8226(2) 0.6578(3) 0.0672(9) Uani 1 1 d . . .
H4' H 0.6346 0.8206 0.6890 0.081 Uiso 1 1 calc R . .
C5' C 0.4614(3) 0.7424(2) 0.6634(2) 0.0602(8) Uani 1 1 d . . .
H5' H 0.4457 0.7603 0.7352 0.072 Uiso 1 1 calc R . .
C6' C 0.3367(3) 0.7410(2) 0.6102(2) 0.0543(7) Uani 1 1 d . . .
H6' H 0.2997 0.8103 0.6407 0.065 Uiso 1 1 calc R . .
C7' C 0.5462(3) 0.6166(3) 0.5088(3) 0.0711(9) Uani 1 1 d . . .
H7' H 0.5884 0.5493 0.4772 0.085 Uiso 1 1 calc R . .
C8' C 0.3076(3) 0.8924(3) 0.4600(3) 0.0644(8) Uani 1 1 d . . .
C9' C 0.2563(3) 1.0004(3) 0.5097(3) 0.0665(9) Uani 1 1 d . . .
C10' C 0.1565(4) 1.0234(3) 0.4619(4) 0.0908(12) Uani 1 1 d . . .
H10' H 0.1222 0.9730 0.4002 0.109 Uiso 1 1 calc R . .
C11' C 0.1076(4) 1.1247(4) 0.5082(5) 0.1134(17) Uani 1 1 d . . .
H11' H 0.0396 1.1408 0.4773 0.136 Uiso 1 1 calc R . .
C12' C 0.1585(6) 1.1985(4) 0.5969(6) 0.125(2) Uani 1 1 d . . .
H12' H 0.1261 1.2651 0.6260 0.150 Uiso 1 1 calc R . .
C13' C 0.2575(6) 1.1761(3) 0.6444(4) 0.1061(15) Uani 1 1 d . . .
H13' H 0.2920 1.2276 0.7053 0.127 Uiso 1 1 calc R . .
C14' C 0.3061(4) 1.0775(3) 0.6022(3) 0.0823(11) Uani 1 1 d . . .
H14' H 0.3722 1.0624 0.6353 0.099 Uiso 1 1 calc R . .
C15' C 0.1250(3) 0.6840(2) 0.6138(2) 0.0594(8) Uani 1 1 d . . .
C16' C 0.0443(3) 0.6130(2) 0.6360(2) 0.0592(8) Uani 1 1 d . . .
C17' C 0.0950(3) 0.5541(3) 0.6768(3) 0.0769(10) Uani 1 1 d . . .
H17' H 0.1826 0.5563 0.6895 0.092 Uiso 1 1 calc R . .
C18' C 0.0161(4) 0.4912(3) 0.6996(3) 0.0939(12) Uani 1 1 d . . .
H18' H 0.0505 0.4518 0.7278 0.113 Uiso 1 1 calc R . .
C19' C -0.1116(5) 0.4881(4) 0.6799(3) 0.1012(15) Uani 1 1 d . . .
H19' H -0.1646 0.4465 0.6954 0.121 Uiso 1 1 calc R . .
C20' C -0.1633(4) 0.5445(4) 0.6380(4) 0.1026(14) Uani 1 1 d . . .
H20' H -0.2507 0.5401 0.6239 0.123 Uiso 1 1 calc R . .
C21' C -0.0870(3) 0.6084(3) 0.6162(3) 0.0798(10) Uani 1 1 d . . .
H21' H -0.1228 0.6479 0.5887 0.096 Uiso 1 1 calc R . .
C22' C 0.5873(5) 1.0035(3) 0.7372(4) 0.1211(18) Uani 1 1 d . . .
H22D H 0.6654 0.9913 0.7643 0.182 Uiso 1 1 calc R . .
H22E H 0.5510 1.0677 0.7866 0.182 Uiso 1 1 calc R . .
H22F H 0.6049 1.0065 0.6751 0.182 Uiso 1 1 calc R . .
O1 O 0.9327(2) 0.39336(15) 1.04193(17) 0.0651(6) Uani 1 1 d . . .
O2 O 0.74854(18) 0.32980(15) 0.87491(16) 0.0575(5) Uani 1 1 d . . .
O3 O 1.0218(2) 0.35439(17) 0.88468(19) 0.0692(6) Uani 1 1 d . . .
O4 O 0.9881(3) 0.07755(17) 0.78295(18) 0.0831(7) Uani 1 1 d . . .
O5 O 1.1293(2) 0.31017(18) 0.9968(2) 0.0775(7) Uani 1 1 d . . .
O6 O 0.8901(2) 0.12062(15) 0.97847(16) 0.0651(6) Uani 1 1 d . . .
O7 O 0.5805(2) 0.25590(18) 0.9099(2) 0.0892(8) Uani 1 1 d . . .
O8 O 0.7792(3) 0.1769(2) 1.1241(2) 0.1041(9) Uani 1 1 d . . .
O1' O 0.4310(2) 0.60630(15) 0.45574(17) 0.0666(6) Uani 1 1 d . . .
O2' O 0.3929(2) 0.87991(15) 0.52146(16) 0.0662(6) Uani 1 1 d . . .
O3' O 0.6296(2) 0.68798(18) 0.4995(2) 0.0757(7) Uani 1 1 d . . .
O4' O 0.4981(3) 0.92109(17) 0.71594(17) 0.0824(7) Uani 1 1 d . . .
O5' O 0.5236(2) 0.64366(17) 0.61167(19) 0.0684(6) Uani 1 1 d . . .
O6' O 0.25103(18) 0.67044(15) 0.62368(16) 0.0567(5) Uani 1 1 d . . .
O7' O 0.2775(3) 0.8257(2) 0.3772(2) 0.1008(9) Uani 1 1 d . . .
O8' O 0.0849(2) 0.74557(18) 0.5888(2) 0.0874(8) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 C1 C2 109.8(2) . . ?
O1 C1 C6 106.5(2) . . ?
C2 C1 C6 110.7(2) . . ?
O2 C2 C3 107.6(2) . . ?
O2 C2 C1 110.8(2) . . ?
C3 C2 C1 108.3(3) . . ?
O3 C3 C2 110.3(2) . . ?
O3 C3 C4 107.7(3) . . ?
C2 C3 C4 109.6(2) . . ?
O4 C4 C5 115.0(3) . . ?
O4 C4 C3 107.8(3) . . ?
C5 C4 C3 107.4(3) . . ?
O5 C5 C4 106.7(2) . . ?
O5 C5 C6 105.4(2) . . ?
C4 C5 C6 114.8(3) . . ?
O6 C6 C5 108.4(2) . . ?
O6 C6 C1 112.0(3) . . ?
C5 C6 C1 107.0(2) . . ?
O5 C7 O3 112.2(3) . . ?
O5 C7 O1 111.6(3) . . ?
O3 C7 O1 110.9(3) . . ?
O7 C8 O2 123.3(3) . . ?
O7 C8 C9 124.6(3) . . ?
O2 C8 C9 112.2(3) . . ?
C10 C9 C14 119.0(3) . . ?
C10 C9 C8 119.3(3) . . ?
C14 C9 C8 121.7(3) . . ?
C11 C10 C9 121.0(4) . . ?
C10 C11 C12 119.6(4) . . ?
C11 C12 C13 121.2(4) . . ?
C12 C13 C14 119.2(4) . . ?
C9 C14 C13 120.0(3) . . ?
O8 C15 O6 122.8(3) . . ?
O8 C15 C16 125.3(3) . . ?
O6 C15 C16 111.9(3) . . ?
C17 C16 C21 119.3(4) . . ?
C17 C16 C15 118.9(4) . . ?
C21 C16 C15 121.8(3) . . ?
C16 C17 C18 120.0(5) . . ?
C19 C18 C17 120.9(5) . . ?
C18 C19 C20 120.6(5) . . ?
C19 C20 C21 120.1(5) . . ?
C16 C21 C20 119.1(4) . . ?
O1' C1' C6' 110.0(2) . . ?
O1' C1' C2' 106.3(2) . . ?
C6' C1' C2' 110.3(2) . . ?
O2' C2' C3' 108.9(2) . . ?
O2' C2' C1' 111.6(3) . . ?
C3' C2' C1' 107.2(2) . . ?
O3' C3' C2' 105.8(3) . . ?
O3' C3' C4' 106.9(2) . . ?
C2' C3' C4' 114.5(3) . . ?
O4' C4' C3' 115.7(3) . . ?
O4' C4' C5' 108.0(3) . . ?
C3' C4' C5' 107.3(2) . . ?
O5' C5' C6' 110.6(2) . . ?
O5' C5' C4' 107.2(3) . . ?
C6' C5' C4' 108.8(2) . . ?
O6' C6' C5' 107.0(2) . . ?
O6' C6' C1' 110.5(2) . . ?
C5' C6' C1' 108.4(3) . . ?
O5' C7' O1' 110.9(3) . . ?
O5' C7' O3' 111.6(3) . . ?
O1' C7' O3' 111.1(3) . . ?
O7' C8' O2' 123.6(3) . . ?
O7' C8' C9' 125.4(3) . . ?
O2' C8' C9' 111.0(3) . . ?
C10' C9' C14' 119.4(4) . . ?
C10' C9' C8' 118.5(3) . . ?
C14' C9' C8' 122.1(3) . . ?
C9' C10' C11' 118.9(5) . . ?
C12' C11' C10' 120.7(5) . . ?
C11' C12' C13' 120.6(5) . . ?
C12' C13' C14' 120.2(5) . . ?
C13' C14' C9' 120.2(4) . . ?
O8' C15' O6' 122.8(3) . . ?
O8' C15' C16' 125.2(3) . . ?
O6' C15' C16' 111.9(3) . . ?
C17' C16' C21' 119.4(3) . . ?
C17' C16' C15' 122.1(3) . . ?
C21' C16' C15' 118.6(3) . . ?
C16' C17' C18' 120.5(4) . . ?
C19' C18' C17' 119.2(4) . . ?
C20' C19' C18' 121.2(4) . . ?
C19' C20' C21' 120.5(4) . . ?
C20' C21' C16' 119.3(4) . . ?
C7 O1 C1 110.5(2) . . ?
C8 O2 C2 116.1(2) . . ?
C7 O3 C3 109.8(2) . . ?
C4 O4 C22 114.3(3) . . ?
C7 O5 C5 110.8(2) . . ?
C15 O6 C6 117.4(2) . . ?
C7' O1' C1' 111.1(2) . . ?
C8' O2' C2' 117.3(2) . . ?
C7' O3' C3' 110.9(2) . . ?
C4' O4' C22' 112.9(3) . . ?
C7' O5' C5' 110.8(2) . . ?
C15' O6' C6' 115.8(2) . . ?
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
C1 O1 1.444(3) . ?
C1 C2 1.515(4) . ?
C1 C6 1.533(4) . ?
C2 O2 1.448(3) . ?
C2 C3 1.512(4) . ?
C3 O3 1.449(4) . ?
C3 C4 1.528(4) . ?
C4 O4 1.413(4) . ?
C4 C5 1.522(5) . ?
C5 O5 1.456(4) . ?
C5 C6 1.532(4) . ?
C6 O6 1.447(4) . ?
C7 O5 1.403(4) . ?
C7 O3 1.403(4) . ?
C7 O1 1.409(4) . ?
C8 O7 1.210(4) . ?
C8 O2 1.348(4) . ?
C8 C9 1.483(4) . ?
C9 C10 1.393(4) . ?
C9 C14 1.394(5) . ?
C10 C11 1.367(6) . ?
C11 C12 1.376(7) . ?
C12 C13 1.380(6) . ?
C13 C14 1.395(5) . ?
C15 O8 1.195(4) . ?
C15 O6 1.353(4) . ?
C15 C16 1.492(5) . ?
C16 C17 1.382(5) . ?
C16 C21 1.385(5) . ?
C17 C18 1.388(6) . ?
C18 C19 1.340(8) . ?
C19 C20 1.362(8) . ?
C20 C21 1.410(6) . ?
C22 O4 1.429(4) . ?
C1' O1' 1.442(3) . ?
C1' C6' 1.518(4) . ?
C1' C2' 1.539(4) . ?
C2' O2' 1.451(3) . ?
C2' C3' 1.522(4) . ?
C3' O3' 1.447(4) . ?
C3' C4' 1.525(5) . ?
C4' O4' 1.410(4) . ?
C4' C5' 1.545(4) . ?
C5' O5' 1.441(4) . ?
C5' C6' 1.511(4) . ?
C6' O6' 1.454(3) . ?
C7' O5' 1.400(4) . ?
C7' O1' 1.400(4) . ?
C7' O3' 1.419(4) . ?
C8' O7' 1.192(4) . ?
C8' O2' 1.342(4) . ?
C8' C9' 1.501(5) . ?
C9' C10' 1.385(5) . ?
C9' C14' 1.397(5) . ?
C10' C11' 1.411(6) . ?
C11' C12' 1.352(8) . ?
C12' C13' 1.370(7) . ?
C13' C14' 1.379(5) . ?
C15' O8' 1.204(3) . ?
C15' O6' 1.349(4) . ?
C15' C16' 1.494(4) . ?
C16' C17' 1.372(5) . ?
C16' C21' 1.394(4) . ?
C17' C18' 1.395(5) . ?
C18' C19' 1.359(6) . ?
C19' C20' 1.358(6) . ?
C20' C21' 1.382(6) . ?
C22' O4' 1.438(4) . ?
