#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:11:47 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180380 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/49/7204915.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_7204915
loop_
_publ_author_name
'Abe, Yutaka'
'Fujiwara, Masami'
'Ohbu, Kazuo'
'Harata, Kazuaki'
_publ_section_title
;
 Crystal structures of glycolipids with odd and even numbered alkyl chains
;
_journal_issue                   2
_journal_name_full
'Journal of the Chemical Society, Perkin Transactions 2'
_journal_page_first              341
_journal_paper_doi               10.1039/a905624f
_journal_year                    2000
_chemical_formula_moiety         'C16 H30 O7'
_chemical_formula_sum            'C16 H30 O7'
_chemical_formula_weight         334.40
_chemical_melting_point          76.0
_chemical_name_systematic
; 
 methyl 6-O-nonanoyl-beta-D-glucopyranoside   
;
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             99_06_01
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 100.01(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.922(1)
_cell_length_b                   7.450(1)
_cell_length_c                   15.815(1)
_cell_measurement_reflns_used    8635
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.36
_cell_measurement_theta_min      1.31
_cell_volume                     919.18(18)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Bruker SAMRT'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0225
_diffrn_reflns_av_sigmaI/netI    0.0496
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5034
_diffrn_reflns_theta_max         26.36
_diffrn_reflns_theta_min         1.31
_diffrn_standards_decay_%        -0.3
_diffrn_standards_number         50
_exptl_absorpt_coefficient_mu    0.094
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.78
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            clear
_exptl_crystal_density_diffrn    1.208
_exptl_crystal_description       plate
_exptl_crystal_F_000             364
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.175
_refine_diff_density_min         -0.177
_refine_diff_density_rms         0.047
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   1.20(143)
_refine_ls_extinction_coef       0.0214(44)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.064
_refine_ls_goodness_of_fit_obs   1.111
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     322
_refine_ls_number_reflns         3268
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      1.206
_refine_ls_restrained_S_obs      1.154
_refine_ls_R_factor_all          0.0776
_refine_ls_R_factor_obs          0.0500
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0538P)²+0.0401P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1322
_refine_ls_wR_factor_obs         0.1054
_reflns_number_observed          2419
_reflns_number_total             3269
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            a905624f.txt
_cod_data_source_block           19
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/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 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0538P)^2^+0.0401P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0538P)^2^+0.0401P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        919.0(1)
_cod_original_sg_symbol_H-M      P2(1)
_cod_database_code               7204915
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
C1 C -0.4707(3) -0.1902(3) -0.5972(2) 0.0392(6) Uani 1 d . .
H1A H -0.4463(3) -0.1222(3) -0.6468(2) 0.047 Uiso 1 calc R .
C2 C -0.3168(3) -0.1841(3) -0.5254(2) 0.0392(6) Uani 1 d . .
H2A H -0.3435(3) -0.2481(3) -0.4752(2) 0.047 Uiso 1 calc R .
C3 C -0.1661(3) -0.2744(4) -0.5559(2) 0.0408(6) Uani 1 d . .
H3A H -0.1279(3) -0.1968(4) -0.5989(2) 0.049 Uiso 1 calc R .
C4 C -0.2108(3) -0.4571(3) -0.5964(2) 0.0414(6) Uani 1 d . .
H4A H -0.2238(3) -0.5432(3) -0.5511(2) 0.050 Uiso 1 calc R .
C5 C -0.3768(3) -0.4508(3) -0.6612(2) 0.0478(7) Uani 1 d D .
H5A H -0.3564(3) -0.3663(3) -0.7058(2) 0.057 Uiso 1 calc R 1
C7 C -0.7581(3) -0.0975(4) -0.6379(2) 0.0584(8) Uani 1 d . .
H7A H -0.8526(3) -0.0478(4) -0.6151(2) 0.088 Uiso 1 calc R .
H7B H -0.7901(3) -0.2124(4) -0.6632(2) 0.088 Uiso 1 calc R .
H7C H -0.7279(3) -0.0183(4) -0.6808(2) 0.088 Uiso 1 calc R .
O1 O -0.6131(2) -0.1188(2) -0.56957(11) 0.0472(5) Uani 1 d . .
O2 O -0.2709(2) -0.0030(2) -0.50231(13) 0.0534(5) Uani 1 d . .
H2 H -0.3318(30) 0.0359(14) -0.4581(14) 0.080 Uiso 1 calc R .
O3 O -0.0290(2) -0.2898(3) -0.48415(13) 0.0526(5) Uani 1 d . .
H3 H 0.0537(22) -0.3749(33) -0.4973(8) 0.079 Uiso 1 calc R .
O4 O -0.0772(2) -0.5171(3) -0.63932(13) 0.0606(6) Uani 1 d . .
H4 H -0.0152(29) -0.6127(33) -0.6071(12) 0.091 Uiso 1 calc R .
O5 O -0.5100(2) -0.3716(2) -0.62156(11) 0.0463(5) Uani 1 d . .
C6A C -0.4267(20) -0.6267(14) -0.7069(8) 0.070(5) Uani 0.449(5) d PD 1
H6A1 H -0.3269(20) -0.6848(14) -0.7225(8) 0.084 Uiso 0.449(5) calc PR 1
H6A2 H -0.4778(20) -0.7072(14) -0.6703(8) 0.084 Uiso 0.449(5) calc PR 1
C8A C -0.7133(16) -0.6253(32) -0.7854(12) 0.080(6) Uani 0.449(5) d PD 1
C9A C -0.8221(12) -0.5442(16) -0.8622(7) 0.088(3) Uani 0.449(5) d PD 1
H9A1 H -0.7668(12) -0.5640(16) -0.9115(7) 0.105 Uiso 0.449(5) calc PR 1
H9A2 H -0.8269(12) -0.4155(16) -0.8534(7) 0.105 Uiso 0.449(5) calc PR 1
C10A C -1.0029(12) -0.6145(15) -0.8830(8) 0.080(3) Uani 0.449(5) d PD 1
H10A H -0.9994(12) -0.7443(15) -0.8873(8) 0.096 Uiso 0.449(5) calc PR 1
H10B H -1.0626(12) -0.5847(15) -0.8363(8) 0.096 Uiso 0.449(5) calc PR 1
C11A C -1.0989(13) -0.5420(17) -0.9629(7) 0.079(3) Uani 0.449(5) d PD 1
H11A H -1.0365(13) -0.5682(17) -1.0091(7) 0.095 Uiso 0.449(5) calc PR 1
H11B H -1.1049(13) -0.4125(17) -0.9577(7) 0.095 Uiso 0.449(5) calc PR 1
C12A C -1.2803(12) -0.6153(14) -0.9871(7) 0.081(3) Uani 0.449(5) d PD 1
H12A H -1.2737(12) -0.7445(14) -0.9937(7) 0.098 Uiso 0.449(5) calc PR 1
H12B H -1.3411(12) -0.5923(14) -0.9401(7) 0.098 Uiso 0.449(5) calc PR 1
C13A C -1.3842(12) -0.5380(15) -1.0688(7) 0.078(3) Uani 0.449(5) d PD 1
H13A H -1.3889(12) -0.4086(15) -1.0629(7) 0.094 Uiso 0.449(5) calc PR 1
H13B H -1.3252(12) -0.5638(15) -1.1162(7) 0.094 Uiso 0.449(5) calc PR 1
C14A C -1.5650(11) -0.6092(13) -1.0904(6) 0.071(3) Uani 0.449(5) d PD 1
H14A H -1.6212(11) -0.5907(13) -1.0413(6) 0.085 Uiso 0.449(5) calc PR 1
H14B H -1.5598(11) -0.7376(13) -1.0999(6) 0.085 Uiso 0.449(5) calc PR 1
C15A C -1.6737(12) -0.5249(15) -1.1683(5) 0.076(3) Uani 0.449(5) d PD 1
H15A H -1.6182(12) -0.5444(15) -1.2176(5) 0.092 Uiso 0.449(5) calc PR 1
H15B H -1.6783(12) -0.3964(15) -1.1591(5) 0.092 Uiso 0.449(5) calc PR 1
C16A C -1.8578(17) -0.5969(31) -1.1895(12) 0.101(5) Uani 0.449(5) d PD 1
H16A H -1.9179(17) -0.5368(31) -1.2395(12) 0.151 Uiso 0.449(5) calc PR 1
H16B H -1.9154(17) -0.5753(31) -1.1418(12) 0.151 Uiso 0.449(5) calc PR 1
H16C H -1.8552(17) -0.7235(31) -1.2004(12) 0.151 Uiso 0.449(5) calc PR 1
O6A O -0.5493(8) -0.5819(9) -0.7831(4) 0.074(2) Uani 0.449(5) d PD 1
O7A O -0.7609(9) -0.6902(10) -0.7235(5) 0.117(3) Uani 0.449(5) d P 1
C6B C -0.4406(12) -0.6415(11) -0.6814(9) 0.053(3) Uani 0.550(5) d PD 2
H6B1 H -0.3748(12) -0.6930(11) -0.7217(9) 0.063 Uiso 0.550(5) calc PR 2
H6B2 H -0.4156(12) -0.7114(11) -0.6289(9) 0.063 Uiso 0.550(5) calc PR 2
C8B C -0.6806(12) -0.5897(19) -0.7936(6) 0.048(2) Uani 0.550(5) d PD 2
C9B C -0.8695(8) -0.6232(11) -0.8199(4) 0.069(2) Uani 0.550(5) d PD 2
H9B1 H -0.9282(8) -0.5712(11) -0.7767(4) 0.083 Uiso 0.550(5) calc PR 2
H9B2 H -0.8890(8) -0.7517(11) -0.8200(4) 0.083 Uiso 0.550(5) calc PR 2
C10B C -0.9493(9) -0.5497(12) -0.9061(5) 0.068(2) Uani 0.550(5) d PD 2
H10C H -0.8853(9) -0.5924(12) -0.9491(5) 0.081 Uiso 0.550(5) calc PR 2
H10D H -0.9420(9) -0.4197(12) -0.9047(5) 0.081 Uiso 0.550(5) calc PR 2
C11B C -1.1369(8) -0.6054(11) -0.9317(5) 0.064(2) Uani 0.550(5) d PD 2
H11C H -1.1419(8) -0.7355(11) -0.9323(5) 0.077 Uiso 0.550(5) calc PR 2
H11D H -1.1982(8) -0.5645(11) -0.8873(5) 0.077 Uiso 0.550(5) calc PR 2
C12B C -1.2317(9) -0.5381(12) -1.0171(4) 0.072(2) Uani 0.550(5) d PD 2
H12C H -1.1710(9) -0.5768(12) -1.0621(4) 0.086 Uiso 0.550(5) calc PR 2
H12D H -1.2319(9) -0.4079(12) -1.0166(4) 0.086 Uiso 0.550(5) calc PR 2
C13B C -1.4152(9) -0.6044(13) -1.0377(5) 0.072(2) Uani 0.550(5) d PD 2
H13C H -1.4732(9) -0.5689(13) -0.9912(5) 0.087 Uiso 0.550(5) calc PR 2
H13D H -1.4131(9) -0.7346(13) -1.0388(5) 0.087 Uiso 0.550(5) calc PR 2
C14B C -1.5220(9) -0.5395(12) -1.1216(5) 0.074(2) Uani 0.550(5) d PD 2
H14C H -1.5255(9) -0.4093(12) -1.1220(5) 0.089 Uiso 0.550(5) calc PR 2
H14D H -1.4689(9) -0.5783(12) -1.1694(5) 0.089 Uiso 0.550(5) calc PR 2
C15B C -1.7038(9) -0.6128(14) -1.1327(5) 0.087(2) Uani 0.550(5) d PD 2
H15C H -1.6999(9) -0.7426(14) -1.1368(5) 0.105 Uiso 0.550(5) calc PR 2
H15D H -1.7523(9) -0.5829(14) -1.0823(5) 0.105 Uiso 0.550(5) calc PR 2
C16B C -1.8197(15) -0.5395(22) -1.2119(7) 0.091(4) Uani 0.550(5) d PD 2
H16D H -1.9323(15) -0.5900(22) -1.2157(7) 0.136 Uiso 0.550(5) calc PR 2
H16E H -1.7738(15) -0.5710(22) -1.2622(7) 0.136 Uiso 0.550(5) calc PR 2
H16F H -1.8263(15) -0.4112(22) -1.2077(7) 0.136 Uiso 0.550(5) calc PR 2
O6B O -0.6214(5) -0.6635(5) -0.7167(2) 0.0558(12) Uani 0.550(5) d PD 2
O7B O -0.5883(7) -0.5214(8) -0.8376(4) 0.083(2) Uani 0.550(5) d P 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
O O 0.0106 0.0060 '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 O5 107.3(2) . . no
O1 C1 C2 110.2(2) . . no
O5 C1 C2 109.9(2) . . no
O2 C2 C1 110.8(2) . . no
O2 C2 C3 108.7(2) . . no
C1 C2 C3 108.8(2) . . no
O3 C3 C4 110.6(2) . . no
O3 C3 C2 108.2(2) . . no
C4 C3 C2 113.1(2) . . no
O4 C4 C3 110.1(2) . . no
O4 C4 C5 108.4(2) . . no
C3 C4 C5 111.5(2) . . no
O5 C5 C6A 114.2(7) . . no
O5 C5 C4 109.4(2) . . no
C6A C5 C4 114.7(5) . . no
O5 C5 C6B 103.4(5) . . no
C4 C5 C6B 109.2(4) . . no
C1 O1 C7 113.1(2) . . no
C1 O5 C5 111.3(2) . . no
O6A C6A C5 106.2(7) . . no
O7A C8A O6A 120.9(12) . . no
O7A C8A C9A 127.2(11) . . no
O6A C8A C9A 110.3(10) . . no
C8A C9A C10A 115.5(10) . . no
C11A C10A C9A 113.1(11) . . no
C10A C11A C12A 114.3(10) . . no
C13A C12A C11A 115.2(10) . . no
C14A C13A C12A 114.4(9) . . no
C13A C14A C15A 115.0(10) . . no
C14A C15A C16A 114.7(13) . . no
C8A O6A C6A 118.5(12) . . no
O6B C6B C5 117.1(7) . . no
O7B C8B O6B 122.9(8) . . no
O7B C8B C9B 125.9(7) . . no
O6B C8B C9B 110.9(8) . . no
C8B C9B C10B 115.6(7) . . no
C9B C10B C11B 112.2(7) . . no
C12B C11B C10B 117.1(7) . . no
C11B C12B C13B 113.1(7) . . no
C12B C13B C14B 116.8(8) . . no
C15B C14B C13B 110.9(8) . . no
C16B C15B C14B 113.0(9) . . no
C8B O6B C6B 117.9(8) . . no
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 1.385(3) . no
C1 O5 1.425(3) . no
C1 C2 1.516(3) . no
C2 O2 1.428(3) . no
C2 C3 1.520(3) . no
C3 O3 1.433(3) . no
C3 C4 1.519(3) . no
C4 O4 1.425(3) . no
C4 C5 1.520(3) . no
C5 O5 1.444(3) . no
C5 C6A 1.516(9) . no
C5 C6B 1.523(8) . no
C7 O1 1.442(3) . no
C6A O6A 1.449(9) . no
C8A O7A 1.21(2) . no
C8A O6A 1.333(10) . no
C8A C9A 1.490(10) . no
C9A C10A 1.507(8) . no
C10A C11A 1.460(15) . no
C11A C12A 1.523(9) . no
C12A C13A 1.519(9) . no
C13A C14A 1.510(9) . no
C14A C15A 1.512(8) . no
C15A C16A 1.535(9) . no
C6B O6B 1.453(8) . no
C8B O7B 1.206(11) . no
C8B O6B 1.343(8) . no
C8B C9B 1.502(8) . no
C9B C10B 1.504(7) . no
C10B C11B 1.528(8) . no
C11B C12B 1.512(7) . no
C12B C13B 1.516(8) . no
C13B C14B 1.523(8) . no
C14B C15B 1.521(8) . no
C15B C16B 1.520(9) . no
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C2 O2 -64.3(2) . . . . no
O5 C1 C2 O2 177.7(2) . . . . no
O1 C1 C2 C3 176.3(2) . . . . no
O5 C1 C2 C3 58.2(2) . . . . no
O2 C2 C3 O3 67.0(3) . . . . no
C1 C2 C3 O3 -172.2(2) . . . . no
O2 C2 C3 C4 -170.2(2) . . . . no
C1 C2 C3 C4 -49.4(3) . . . . no
O3 C3 C4 O4 -70.6(3) . . . . no
C2 C3 C4 O4 167.9(2) . . . . no
O3 C3 C4 C5 169.0(2) . . . . no
C2 C3 C4 C5 47.5(3) . . . . no
O4 C4 C5 O5 -173.7(2) . . . . no
C3 C4 C5 O5 -52.3(3) . . . . no
O4 C4 C5 C6A 56.4(8) . . . . no
C3 C4 C5 C6A 177.8(8) . . . . no
O4 C4 C5 C6B 73.9(6) . . . . no
C3 C4 C5 C6B -164.8(6) . . . . no
O5 C1 O1 C7 -68.4(3) . . . . no
C2 C1 O1 C7 171.9(2) . . . . no
O1 C1 O5 C5 173.0(2) . . . . no
C2 C1 O5 C5 -67.2(2) . . . . no
C6A C5 O5 C1 -166.6(5) . . . . no
C4 C5 O5 C1 63.2(2) . . . . no
C6B C5 O5 C1 179.5(5) . . . . no
O5 C5 C6A O6A 71.1(12) . . . . yes
C4 C5 C6A O6A -161.4(8) . . . . yes
C6B C5 C6A O6A 123.9(36) . . . . no
O7A C8A C9A C10A -27.1(31) . . . . no
O6A C8A C9A C10A 167.3(14) . . . . no
C8A C9A C10A C11A -175.0(14) . . . . no
C9A C10A C11A C12A 178.1(9) . . . . no
C10A C11A C12A C13A 178.4(9) . . . . no
C11A C12A C13A C14A -178.6(9) . . . . no
C12A C13A C14A C15A 176.2(8) . . . . no
C13A C14A C15A C16A -179.5(12) . . . . no
O7A C8A O6A C6A 4.6(30) . . . . no
C9A C8A O6A C6A 171.3(12) . . . . yes
C5 C6A O6A C8A -108.1(17) . . . . yes
O5 C5 C6B O6B 42.5(10) . . . . yes
C6A C5 C6B O6B -89.1(28) . . . . no
C4 C5 C6B O6B 158.9(8) . . . . yes
O7B C8B C9B C10B -5.3(18) . . . . no
O6B C8B C9B C10B -178.8(8) . . . . yes
C8B C9B C10B C11B 174.3(9) . . . . no
C9B C10B C11B C12B 179.5(7) . . . . no
C10B C11B C12B C13B 178.5(7) . . . . no
C11B C12B C13B C14B 178.5(7) . . . . no
C12B C13B C14B C15B -178.6(7) . . . . no
C13B C14B C15B C16B 175.2(9) . . . . no
O7B C8B O6B C6B 7.0(17) . . . . no
C9B C8B O6B C6B -179.3(8) . . . . no
C5 C6B O6B C8B 63.3(13) . . . . yes
