#------------------------------------------------------------------------------
#$Date: 2019-11-25 01:44:56 +0200 (Mon, 25 Nov 2019) $
#$Revision: 239898 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/35/04/4350452.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_4350452
loop_
_publ_author_name
'Dan, Meenakshi'
'Cheetham, A. K.'
'Rao, C. N. R.'
_publ_section_title
;
 Diverse structures and dimensionalities in hybrid frameworks of strontium
 and lanthanum with isomeric dihydroxybenzoates.
;
_journal_issue                   20
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8227
_journal_page_last               8238
_journal_paper_doi               10.1021/ic060917k
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C11 H15 La O10'
_chemical_formula_weight         446.14
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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                103.651(3)
_cell_angle_beta                 101.304(3)
_cell_angle_gamma                110.923(3)
_cell_formula_units_Z            2
_cell_length_a                   8.5452(18)
_cell_length_b                   9.1824(19)
_cell_length_c                   10.910(2)
_cell_measurement_reflns_used    955
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.36
_cell_measurement_theta_min      2.82
_cell_volume                     739.0(3)
_computing_cell_refinement       'Bruker SMART'
_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      298(2)
_diffrn_measured_fraction_theta_full 0.878
_diffrn_measured_fraction_theta_max 0.878
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0190
_diffrn_reflns_av_sigmaI/netI    0.0279
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6160
_diffrn_reflns_theta_full        28.37
_diffrn_reflns_theta_max         28.37
_diffrn_reflns_theta_min         2.02
_exptl_absorpt_coefficient_mu    2.939
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.771105
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.005
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             436
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.761
_refine_diff_density_min         -0.924
_refine_diff_density_rms         0.097
_refine_ls_extinction_coef       0.0030(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     221
_refine_ls_number_reflns         3262
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0249
_refine_ls_R_factor_gt           0.0224
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0275P)²+0.8000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0532
_refine_ls_wR_factor_ref         0.0544
_reflns_number_gt                3065
_reflns_number_total             3262
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic060917ksi20060526_012106.cif
_cod_data_source_block           compound_VII
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4350452
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
La1 La 0.333803(19) 0.249309(18) 0.413329(14) 0.01587(7) Uani 1 1 d .
O10 O 0.4379(3) 0.7685(3) 1.1921(2) 0.0322(5) Uani 1 1 d D
O9 O 0.3452(4) 0.3724(3) 0.6433(2) 0.0392(6) Uani 1 1 d .
O8 O 0.3857(3) 0.7894(3) 0.5064(2) 0.0318(5) Uani 1 1 d .
O7 O 0.2730(4) 0.0346(3) 0.5320(3) 0.0375(6) Uani 1 1 d .
O6 O 0.0840(3) 0.1969(3) 0.2093(2) 0.0289(5) Uani 1 1 d .
O5 O 0.3321(3) 0.5274(3) 0.4379(2) 0.0281(5) Uani 1 1 d .
O4 O 0.4907(3) 0.6465(3) 0.7297(2) 0.0280(5) Uani 1 1 d .
O3 O 0.0493(3) 0.1926(3) 0.9628(2) 0.0374(6) Uani 1 1 d .
O2 O -0.0063(3) 0.1210(3) 0.3678(2) 0.0349(5) Uani 1 1 d .
O1 O 0.2707(4) -0.0210(3) 0.2390(3) 0.0414(6) Uani 1 1 d .
C12 C 0.2795(4) 0.6401(4) 0.4460(3) 0.0234(6) Uani 1 1 d .
C11 C -0.0396(4) 0.1398(4) 0.2563(3) 0.0273(6) Uani 1 1 d .
C10 C 0.4054(4) 0.6427(4) 0.9647(3) 0.0218(6) Uani 1 1 d .
H10B H 0.4833 0.7434 0.9639 0.031(6) Uiso 1 1 calc R
C9 C 0.3930(4) 0.5090(4) 0.7326(3) 0.0221(6) Uani 1 1 d .
C8 C 0.2114(4) 0.3522(4) 0.8517(3) 0.0220(6) Uani 1 1 d .
H8A H 0.1619 0.2593 0.7757 0.031(6) Uiso 1 1 calc R
C7 C 0.3603(4) 0.6288(4) 1.0782(3) 0.0215(6) Uani 1 1 d .
C6 C 0.1665(4) 0.3427(4) 0.9658(3) 0.0240(6) Uani 1 1 d .
C5 C 0.3313(4) 0.5021(4) 0.8521(3) 0.0203(5) Uani 1 1 d .
C4 C 0.2403(4) 0.4815(4) 1.0798(3) 0.0254(6) Uani 1 1 d .
H4A H 0.2093 0.4752 1.1561 0.031(6) Uiso 1 1 calc R
C3 C 0.0907(4) 0.5990(5) 0.3809(4) 0.0432(9) Uani 1 1 d .
H3B H 0.0296 0.4832 0.3300 0.052 Uiso 1 1 calc R
H3C H 0.0842 0.6627 0.3234 0.052 Uiso 1 1 calc R
H3D H 0.0370 0.6246 0.4476 0.052 Uiso 1 1 calc R
C2 C -0.2242(5) 0.0968(6) 0.1788(4) 0.0513(11) Uani 1 1 d .
H2A H -0.2905 -0.0212 0.1464 0.062 Uiso 1 1 calc R
H2B H -0.2230 0.1372 0.1053 0.062 Uiso 1 1 calc R
H2C H -0.2777 0.1467 0.2350 0.062 Uiso 1 1 calc R
H6 H 0.498(5) 0.759(6) 1.250(3) 0.050(9) Uiso 1 1 d D
H5 H 0.302(6) -0.041(6) 0.512(5) 0.059(7) Uiso 1 1 d .
H4 H 0.185(7) -0.063(6) 0.183(5) 0.059(7) Uiso 1 1 d .
H3 H 0.051(6) 0.187(5) 1.039(5) 0.050(9) Uiso 1 1 d .
H2 H 0.323(6) -0.081(6) 0.230(5) 0.059(7) Uiso 1 1 d .
H1 H 0.197(7) 0.001(6) 0.569(5) 0.059(7) Uiso 1 1 d .
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'
La La -0.2871 2.4523 '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
O9 La1 O4 133.03(8) . 2_666
O9 La1 O5 72.16(8) . .
O4 La1 O5 76.72(7) 2_666 .
O9 La1 O1 143.58(9) . .
O4 La1 O1 79.00(9) 2_666 .
O5 La1 O1 142.00(8) . .
O9 La1 O7 68.63(9) . .
O4 La1 O7 141.73(8) 2_666 .
O5 La1 O7 138.80(8) . .
O1 La1 O7 75.03(10) . .
O9 La1 O8 91.31(9) . 2_666
O4 La1 O8 77.26(8) 2_666 2_666
O5 La1 O8 123.22(7) . 2_666
O1 La1 O8 78.34(8) . 2_666
O7 La1 O8 70.36(8) . 2_666
O9 La1 O6 123.32(9) . .
O4 La1 O6 79.90(7) 2_666 .
O5 La1 O6 75.42(7) . .
O1 La1 O6 71.86(9) . .
O7 La1 O6 116.92(8) . .
O8 La1 O6 145.27(8) 2_666 .
O9 La1 O2 84.44(8) . .
O4 La1 O2 129.79(7) 2_666 .
O5 La1 O2 89.38(8) . .
O1 La1 O2 84.14(9) . .
O7 La1 O2 74.90(8) . .
O8 La1 O2 144.04(8) 2_666 .
O6 La1 O2 49.89(7) . .
O9 La1 O5 69.40(8) . 2_666
O4 La1 O5 69.07(7) 2_666 2_666
O5 La1 O5 74.89(7) . 2_666
O1 La1 O5 122.07(8) . 2_666
O7 La1 O5 102.10(8) . 2_666
O8 La1 O5 48.76(7) 2_666 2_666
O6 La1 O5 140.97(7) . 2_666
O2 La1 O5 152.47(7) . 2_666
O9 La1 C11 103.94(9) . .
O4 La1 C11 104.86(8) 2_666 .
O5 La1 C11 80.91(8) . .
O1 La1 C11 77.60(9) . .
O7 La1 C11 96.50(9) . .
O8 La1 C11 154.91(8) 2_666 .
O6 La1 C11 24.97(8) . .
O2 La1 C11 24.95(8) . .
O5 La1 C11 155.78(8) 2_666 .
O9 La1 C12 80.08(9) . 2_666
O4 La1 C12 71.07(8) 2_666 2_666
O5 La1 C12 99.15(8) . 2_666
O1 La1 C12 100.07(9) . 2_666
O7 La1 C12 86.28(8) . 2_666
O8 La1 C12 24.25(8) 2_666 2_666
O6 La1 C12 150.91(7) . 2_666
O2 La1 C12 159.03(7) . 2_666
O5 La1 C12 24.52(7) 2_666 2_666
C11 La1 C12 175.73(8) . 2_666
O9 La1 La1 65.45(6) . 2_666
O4 La1 La1 68.12(5) 2_666 2_666
O5 La1 La1 39.24(5) . 2_666
O1 La1 La1 145.45(7) . 2_666
O7 La1 La1 126.27(7) . 2_666
O8 La1 La1 84.20(5) 2_666 2_666
O6 La1 La1 110.92(5) . 2_666
O2 La1 La1 125.06(6) . 2_666
O5 La1 La1 35.65(4) 2_666 2_666
C11 La1 La1 120.14(6) . 2_666
C12 La1 La1 59.99(6) 2_666 2_666
C9 O9 La1 142.7(2) . .
C12 O8 La1 99.13(18) . 2_666
C11 O6 La1 95.63(18) . .
C12 O5 La1 161.3(2) . .
C12 O5 La1 91.53(18) . 2_666
La1 O5 La1 105.11(7) . 2_666
C9 O4 La1 137.09(19) . 2_666
C11 O2 La1 94.35(18) . .
O5 C12 O8 120.5(3) . .
O5 C12 C3 120.4(3) . .
O8 C12 C3 119.0(3) . .
O5 C12 La1 63.95(16) . 2_666
O8 C12 La1 56.63(15) . 2_666
C3 C12 La1 175.6(2) . 2_666
O2 C11 O6 120.0(3) . .
O2 C11 C2 120.8(3) . .
O6 C11 C2 119.2(3) . .
O2 C11 La1 60.70(16) . .
O6 C11 La1 59.40(15) . .
C2 C11 La1 176.1(3) . .
C7 C10 C5 118.4(3) . .
O4 C9 O9 124.7(3) . .
O4 C9 C5 118.9(3) . .
O9 C9 C5 116.4(3) . .
C6 C8 C5 119.3(3) . .
C4 C7 C10 121.5(3) . .
C4 C7 O10 120.0(3) . .
C10 C7 O10 118.4(3) . .
O3 C6 C8 117.9(3) . .
O3 C6 C4 121.6(3) . .
C8 C6 C4 120.5(3) . .
C8 C5 C10 121.1(3) . .
C8 C5 C9 119.3(3) . .
C10 C5 C9 119.4(3) . .
C7 C4 C6 119.2(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O9 2.464(2) .
La1 O4 2.489(2) 2_666
La1 O5 2.510(2) .
La1 O1 2.546(2) .
La1 O7 2.563(2) .
La1 O8 2.564(2) 2_666
La1 O6 2.577(2) .
La1 O2 2.606(2) .
La1 O5 2.724(2) 2_666
La1 C11 2.980(3) .
La1 C12 3.031(3) 2_666
La1 La1 4.1575(8) 2_666
O10 C7 1.395(3) .
O9 C9 1.261(4) .
O8 C12 1.261(4) .
O8 La1 2.564(2) 2_666
O6 C11 1.264(4) .
O5 C12 1.259(4) .
O5 La1 2.724(2) 2_666
O4 C9 1.253(4) .
O4 La1 2.489(2) 2_666
O3 C6 1.373(4) .
O2 C11 1.261(4) .
C12 C3 1.496(4) .
C12 La1 3.031(3) 2_666
C11 C2 1.494(4) .
C10 C7 1.387(4) .
C10 C5 1.393(4) .
C9 C5 1.506(4) .
C8 C6 1.385(4) .
C8 C5 1.390(4) .
C7 C4 1.382(4) .
C6 C4 1.393(4) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O10 H6 O9 0.779(19) 2.41(3) 3.136(4) 156(4) 2_667
O10 H6 O7 0.779(19) 2.54(4) 3.124(4) 133(4) 2_667
O7 H5 O8 0.81(5) 1.93(5) 2.726(3) 167(5) 1_545
O1 H4 O3 0.76(5) 2.02(5) 2.780(3) 175(5) 2_556
O3 H3 O6 0.85(5) 1.80(5) 2.637(3) 173(4) 1_556
O1 H2 O10 0.82(5) 1.98(5) 2.799(4) 175(5) 1_544
O7 H1 O2 0.84(5) 1.97(5) 2.796(3) 169(5) 2_556
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_4
O4 La1 O9 C9 24.6(4) 2_666 .
O5 La1 O9 C9 -26.4(4) . .
O1 La1 O9 C9 170.2(3) . .
O7 La1 O9 C9 166.6(4) . .
O8 La1 O9 C9 98.3(4) 2_666 .
O6 La1 O9 C9 -84.5(4) . .
O2 La1 O9 C9 -117.5(4) . .
O5 La1 O9 C9 53.8(4) 2_666 .
C11 La1 O9 C9 -101.8(4) . .
C12 La1 O9 C9 76.7(4) 2_666 .
La1 La1 O9 C9 15.3(4) 2_666 .
O9 La1 O6 C11 -43.2(2) . .
O4 La1 O6 C11 -178.66(19) 2_666 .
O5 La1 O6 C11 -99.89(19) . .
O1 La1 O6 C11 99.7(2) . .
O7 La1 O6 C11 37.8(2) . .
O8 La1 O6 C11 131.90(19) 2_666 .
O2 La1 O6 C11 1.91(18) . .
O5 La1 O6 C11 -141.42(18) 2_666 .
C12 La1 O6 C11 177.55(18) 2_666 .
La1 La1 O6 C11 -116.92(18) 2_666 .
O9 La1 O5 C12 -79.4(6) . .
O4 La1 O5 C12 136.3(6) 2_666 .
O1 La1 O5 C12 84.7(6) . .
O7 La1 O5 C12 -60.9(6) . .
O8 La1 O5 C12 -158.9(6) 2_666 .
O6 La1 O5 C12 53.5(6) . .
O2 La1 O5 C12 5.0(6) . .
O5 La1 O5 C12 -152.1(7) 2_666 .
C11 La1 O5 C12 28.6(6) . .
C12 La1 O5 C12 -155.8(6) 2_666 .
La1 La1 O5 C12 -152.1(7) 2_666 .
O9 La1 O5 La1 72.79(9) . 2_666
O4 La1 O5 La1 -71.55(8) 2_666 2_666
O1 La1 O5 La1 -123.20(12) . 2_666
O7 La1 O5 La1 91.21(13) . 2_666
O8 La1 O5 La1 -6.73(12) 2_666 2_666
O6 La1 O5 La1 -154.38(9) . 2_666
O2 La1 O5 La1 157.14(8) . 2_666
O5 La1 O5 La1 0.0 2_666 2_666
C11 La1 O5 La1 -179.28(10) . 2_666
C12 La1 O5 La1 -3.61(9) 2_666 2_666
O9 La1 O2 C11 141.6(2) . .
O4 La1 O2 C11 -2.6(2) 2_666 .
O5 La1 O2 C11 69.4(2) . .
O1 La1 O2 C11 -73.1(2) . .
O7 La1 O2 C11 -149.1(2) . .
O8 La1 O2 C11 -133.9(2) 2_666 .
O6 La1 O2 C11 -1.91(18) . .
O5 La1 O2 C11 123.6(2) 2_666 .
C12 La1 O2 C11 -176.0(2) 2_666 .
La1 La1 O2 C11 86.9(2) 2_666 .
La1 O5 C12 O8 155.2(5) . .
La1 O5 C12 O8 2.0(3) 2_666 .
La1 O5 C12 C3 -26.4(8) . .
La1 O5 C12 C3 -179.6(3) 2_666 .
La1 O5 C12 La1 153.2(6) . 2_666
La1 O8 C12 O5 -2.2(3) 2_666 .
La1 O8 C12 C3 179.4(3) 2_666 .
La1 O2 C11 O6 3.4(3) . .
La1 O2 C11 C2 -175.9(3) . .
La1 O6 C11 O2 -3.5(3) . .
La1 O6 C11 C2 175.8(3) . .
O9 La1 C11 O2 -39.6(2) . .
O4 La1 C11 O2 177.90(19) 2_666 .
O5 La1 C11 O2 -108.5(2) . .
O1 La1 C11 O2 103.0(2) . .
O7 La1 C11 O2 29.9(2) . .
O8 La1 C11 O2 86.3(3) 2_666 .
O6 La1 C11 O2 176.5(3) . .
O5 La1 C11 O2 -110.2(2) 2_666 .
C12 La1 C11 O2 160.4(10) 2_666 .
La1 La1 C11 O2 -109.07(19) 2_666 .
O9 La1 C11 O6 143.86(18) . .
O4 La1 C11 O6 1.4(2) 2_666 .
O5 La1 C11 O6 74.92(19) . .
O1 La1 C11 O6 -73.55(19) . .
O7 La1 C11 O6 -146.61(19) . .
O8 La1 C11 O6 -90.3(3) 2_666 .
O2 La1 C11 O6 -176.5(3) . .
O5 La1 C11 O6 73.2(3) 2_666 .
C12 La1 C11 O6 -16.2(12) 2_666 .
La1 La1 C11 O6 74.39(19) 2_666 .
O9 La1 C11 C2 74(4) . .
O4 La1 C11 C2 -69(4) 2_666 .
O5 La1 C11 C2 5(4) . .
O1 La1 C11 C2 -143(4) . .
O7 La1 C11 C2 143(4) . .
O8 La1 C11 C2 -160(4) 2_666 .
O6 La1 C11 C2 -70(4) . .
O2 La1 C11 C2 114(4) . .
O5 La1 C11 C2 3(4) 2_666 .
C12 La1 C11 C2 -86(4) 2_666 .
La1 La1 C11 C2 4(4) 2_666 .
La1 O4 C9 O9 -6.5(5) 2_666 .
La1 O4 C9 C5 171.39(19) 2_666 .
La1 O9 C9 O4 -13.4(6) . .
La1 O9 C9 C5 168.7(3) . .
C5 C10 C7 C4 -2.2(4) . .
C5 C10 C7 O10 178.4(3) . .
C5 C8 C6 O3 -179.3(3) . .
C5 C8 C6 C4 0.0(4) . .
C6 C8 C5 C10 -0.5(4) . .
C6 C8 C5 C9 174.4(3) . .
C7 C10 C5 C8 1.6(4) . .
C7 C10 C5 C9 -173.3(3) . .
O4 C9 C5 C8 174.7(3) . .
O9 C9 C5 C8 -7.2(4) . .
O4 C9 C5 C10 -10.3(4) . .
O9 C9 C5 C10 167.8(3) . .
C10 C7 C4 C6 1.7(4) . .
O10 C7 C4 C6 -178.9(3) . .
O3 C6 C4 C7 178.7(3) . .
C8 C6 C4 C7 -0.5(5) . .
