#------------------------------------------------------------------------------
#$Date: 2016-08-05 06:34:19 +0300 (Fri, 05 Aug 2016) $
#$Revision: 184945 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/08/65/4086587.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_4086587
loop_
_publ_author_name
'Zhang, Fei-Bao'
'Adachi, Yohei'
'Ooyama, Yousuke'
'Ohshita, Joji'
_publ_section_title
;
 Synthesis and Properties of Benzofuran-Fused Silole and Germole
 Derivatives: Reversible Dimerization and Crystal Structures of Monomers
 and Dimers
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              2327
_journal_paper_doi               10.1021/acs.organomet.6b00222
_journal_volume                  35
_journal_year                    2016
_chemical_formula_moiety         'C28 H18 O2 Si'
_chemical_formula_sum            'C28 H18 O2 Si'
_chemical_formula_weight         414.53
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 111.410(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   17.040(4)
_cell_length_b                   17.408(5)
_cell_length_c                   7.608(2)
_cell_measurement_reflns_used    3800
_cell_measurement_temperature    123
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.48
_cell_volume                     2101.0(10)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      123
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0652
_diffrn_reflns_Laue_measured_fraction_full 0.000
_diffrn_reflns_Laue_measured_fraction_max 0.000
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            10118
_diffrn_reflns_point_group_measured_fraction_full 0.000
_diffrn_reflns_point_group_measured_fraction_max 0.000
_diffrn_reflns_theta_full        27.470
_diffrn_reflns_theta_max         27.470
_diffrn_reflns_theta_min         3.475
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.135
_exptl_absorpt_correction_T_max  0.987
_exptl_absorpt_correction_T_min  0.474
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.310
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             864.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.66
_refine_diff_density_min         -0.70
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.608
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     63
_refine_ls_number_reflns         2406
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1602
_refine_ls_R_factor_gt           0.1039
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2758
_refine_ls_wR_factor_ref         0.3001
_reflns_number_gt                1333
_reflns_number_total             2406
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            om6b00222_si_004.cif
_cod_data_source_block           BZFNSiPHEtherFour
_cod_depositor_comments
'Adding full bibliography for 4086587--4086590.cif.'
_cod_database_code               4086587
loop_
_symmetry_equiv_pos_site_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,+Y,1/2-Z
3 -X,-Y,-Z
4 +X,-Y,1/2+Z
5 1/2+X,1/2+Y,+Z
6 1/2-X,1/2+Y,1/2-Z
7 1/2-X,1/2-Y,-Z
8 1/2+X,1/2-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_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Si17 Si 1.0 0.20736(10) 0.25 0.0579(6) Uani 1 4 d .
O1 O 0.95619(18) 0.41309(18) 0.3950(4) 0.0702(9) Uani 1 8 d .
C2 C 0.9772(3) 0.3505(2) 0.3123(6) 0.0600(10) Uani 1 8 d .
C3 C 0.9553(2) 0.2822(2) 0.3629(6) 0.0580(10) Uani 1 8 d .
C4 C 0.9150(3) 0.3013(3) 0.4954(6) 0.0610(11) Uani 1 8 d .
C6 C 0.9179(3) 0.3806(3) 0.5104(6) 0.0651(11) Uani 1 8 d .
C7 C 0.9186(3) 0.1469(2) 0.0764(6) 0.0598(11) Uani 1 8 d .
C8 C 0.7745(4) 0.1076(3) -0.0893(8) 0.0987(16) Uani 1 8 d .
C9 C 0.8874(3) 0.4231(3) 0.6256(7) 0.0848(14) Uani 1 8 d .
C10 C 0.8336(3) 0.1514(3) 0.0493(7) 0.0753(13) Uani 1 8 d .
C11 C 0.8508(3) 0.3804(4) 0.7263(8) 0.0933(16) Uani 1 8 d .
C12 C 0.9416(3) 0.0967(3) -0.0365(7) 0.0789(14) Uani 1 8 d .
C13 C 0.7993(4) 0.0591(4) -0.1983(9) 0.1030(18) Uani 1 8 d .
C14 C 0.8827(3) 0.0531(3) -0.1751(8) 0.0939(16) Uani 1 8 d .
C15 C 0.8766(3) 0.2606(3) 0.5992(7) 0.0805(14) Uani 1 8 d .
C16 C 0.8444(3) 0.3021(3) 0.7155(8) 0.0904(15) Uani 1 8 d .
H8 H 0.71644 0.11168 -0.1077 0.1088 Uiso 1 8 calc R
H9 H 0.8916 0.47747 0.63422 0.0935 Uiso 1 8 calc R
H10 H 0.81573 0.18478 0.12622 0.0830 Uiso 1 8 calc R
H11 H 0.8288 0.40657 0.80777 0.1029 Uiso 1 8 calc R
H12 H 0.99949 0.09177 -0.01872 0.0869 Uiso 1 8 calc R
H13 H 0.75853 0.02903 -0.29172 0.1135 Uiso 1 8 calc R
H14 H 0.89986 0.0195 -0.25278 0.1035 Uiso 1 8 calc R
H15 H 0.87223 0.20623 0.59151 0.0887 Uiso 1 8 calc R
H16 H 0.81775 0.27564 0.78772 0.0997 Uiso 1 8 calc R
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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Si Si 0.0817 0.0704
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(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_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C3 Si17 C3 91.6(2) yes . 2_755
C3 Si17 C7 113.51(18) yes . .
C3 Si17 C7 113.14(18) yes . 2_755
C3 Si17 C7 113.14(18) yes 2_755 .
C3 Si17 C7 113.51(18) yes 2_755 2_755
C7 Si17 C7 110.79(19) yes . 2_755
C2 O1 C6 103.2(3) yes . .
O1 C2 C2 127.0(4) yes . 2_755
O1 C2 C3 115.1(4) yes . .
C2 C2 C3 117.8(4) yes 2_755 .
Si17 C3 C2 106.4(4) yes . .
Si17 C3 C4 148.7(3) yes . .
C2 C3 C4 104.4(4) yes . .
C3 C4 C6 105.8(4) yes . .
C3 C4 C15 136.1(4) yes . .
C6 C4 C15 118.1(5) yes . .
O1 C6 C4 111.4(4) yes . .
O1 C6 C9 123.6(4) yes . .
C4 C6 C9 125.0(5) yes . .
Si17 C7 C10 122.7(4) yes . .
Si17 C7 C12 119.7(3) yes . .
C10 C7 C12 117.5(4) yes . .
C10 C8 C13 120.3(6) yes . .
C6 C9 C11 114.7(5) yes . .
C7 C10 C8 120.6(5) yes . .
C9 C11 C16 123.4(6) yes . .
C7 C12 C14 122.0(5) yes . .
C8 C13 C14 120.7(5) yes . .
C12 C14 C13 118.9(6) yes . .
C4 C15 C16 118.1(5) yes . .
C11 C16 C15 120.7(6) yes . .
C10 C8 H8 119.861 no . .
C13 C8 H8 119.853 no . .
C6 C9 H9 122.655 no . .
C11 C9 H9 122.664 no . .
C7 C10 H10 119.723 no . .
C8 C10 H10 119.717 no . .
C9 C11 H11 118.316 no . .
C16 C11 H11 118.312 no . .
C7 C12 H12 118.999 no . .
C14 C12 H12 118.992 no . .
C8 C13 H13 119.664 no . .
C14 C13 H13 119.653 no . .
C12 C14 H14 120.537 no . .
C13 C14 H14 120.529 no . .
C4 C15 H15 120.945 no . .
C16 C15 H15 120.949 no . .
C11 C16 H16 119.639 no . .
C15 C16 H16 119.638 no . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Si17 C3 1.870(5) yes .
Si17 C3 1.870(5) yes 2_755
Si17 C7 1.855(4) yes .
Si17 C7 1.855(4) yes 2_755
O1 C2 1.369(6) yes .
O1 C6 1.390(6) yes .
C2 C2 1.428(7) yes 2_755
C2 C3 1.344(6) yes .
C3 C4 1.450(7) yes .
C4 C6 1.386(6) yes .
C4 C15 1.390(8) yes .
C6 C9 1.385(8) yes .
C7 C10 1.389(7) yes .
C7 C12 1.377(7) yes .
C8 C10 1.391(7) yes .
C8 C13 1.354(10) yes .
C9 C11 1.369(9) yes .
C11 C16 1.367(8) yes .
C12 C14 1.387(7) yes .
C13 C14 1.370(9) yes .
C15 C16 1.400(9) yes .
C8 H8 0.950 no .
C9 H9 0.950 no .
C10 H10 0.950 no .
C11 H11 0.950 no .
C12 H12 0.950 no .
C13 H13 0.950 no .
C14 H14 0.950 no .
C15 H15 0.950 no .
C16 H16 0.950 no .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_2
Si17 C2 2.592(5) no 2_755
Si17 C4 3.198(5) no 2_755
Si17 C10 2.856(4) no 2_755
Si17 C12 2.805(5) no 2_755
O1 O1 3.083(5) no 2_755
O1 C15 3.583(7) no .
C2 C4 3.567(7) no 2_755
C2 C6 3.563(7) no 2_755
C2 C9 3.504(8) no .
C2 C15 3.590(8) no .
C3 C10 3.400(6) no .
C4 C11 2.754(8) no .
C6 C16 2.702(8) no .
C7 C12 3.550(6) no 2_755
C7 C13 2.780(7) no .
C8 C12 2.732(8) no .
C9 C15 2.836(8) no .
C10 C14 2.755(8) no .
O1 O1 3.492(4) no 3_766
O1 C9 3.458(6) no 4_564
O1 C11 3.538(5) no 2_756
C6 C9 3.537(6) no 2_756
C9 O1 3.458(6) no 4_565
C9 C6 3.537(6) no 2_756
C11 O1 3.538(5) no 2_756
Si17 H10 2.9567 no .
Si17 H10 2.9567 no 2_755
Si17 H12 2.8662 no .
Si17 H12 2.8662 no 2_755
O1 H9 2.6908 no .
C3 H10 2.9407 no .
C3 H12 3.5109 no 2_755
C3 H15 2.9281 no .
C4 H9 3.3153 no .
C4 H10 3.3753 no .
C4 H16 3.2530 no .
C6 H11 3.1840 no .
C6 H15 3.2488 no .
C7 H8 3.2685 no .
C7 H12 3.2809 no 2_755
C7 H14 3.2714 no .
C8 H14 3.2251 no .
C9 H16 3.2537 no .
C10 H12 3.2253 no .
C10 H13 3.2381 no .
C11 H15 3.2637 no .
C12 H10 3.2279 no .
C12 H13 3.2346 no .
C13 H10 3.2330 no .
C13 H12 3.2281 no .
C14 H8 3.2233 no .
C15 H11 3.2521 no .
C16 H9 3.2723 no .
H8 H10 2.3347 no .
H8 H13 2.2973 no .
H9 H11 2.3331 no .
H10 H15 3.3330 no .
H11 H16 2.2875 no .
H12 H14 2.3300 no .
H12 H15 3.1526 no 2_755
H13 H14 2.3226 no .
H15 H16 2.3583 no .
O1 H8 2.9872 no 7_655
O1 H9 3.2906 no 3_766
O1 H9 2.6802 no 4_564
O1 H11 3.5356 no 2_756
O1 H13 3.5945 no 7_655
C2 H8 3.1620 no 7_655
C2 H9 3.3893 no 4_564
C3 H8 3.4048 no 7_655
C4 H8 3.3451 no 7_655
C6 H8 3.0861 no 7_655
C6 H13 3.2602 no 7_655
C7 H14 3.2374 no 4_555
C7 H16 3.1697 no 1_554
C8 H9 3.5431 no 6_645
C8 H11 3.2404 no 7_656
C8 H13 3.3626 no 4_555
C8 H14 3.4671 no 4_555
C8 H16 3.2370 no 1_554
C9 H13 2.9534 no 7_655
C10 H11 3.4726 no 7_656
C10 H14 3.3397 no 4_555
C10 H16 2.8838 no 1_554
C10 H16 3.4839 no 7_656
C11 H8 3.4903 no 7_656
C11 H10 3.5957 no 7_656
C11 H13 3.3303 no 6_655
C11 H13 3.5199 no 7_655
C12 H12 3.4113 no 3_755
C12 H14 3.4484 no 3_755
C12 H14 3.2204 no 4_555
C12 H15 3.2563 no 1_554
C13 H11 3.3446 no 6_645
C13 H14 3.4721 no 4_555
C13 H15 3.4798 no 1_554
C14 H12 3.2248 no 3_755
C14 H14 3.3641 no 4_555
C14 H15 3.1724 no 1_554
C15 H16 3.5932 no 7_656
C16 H10 3.3679 no 7_656
C16 H15 3.5785 no 7_656
H8 O1 2.9872 no 7_655
H8 C2 3.1620 no 7_655
H8 C3 3.4048 no 7_655
H8 C4 3.3451 no 7_655
H8 C6 3.0861 no 7_655
H8 C11 3.4903 no 7_656
H8 H9 2.9355 no 6_645
H8 H10 3.5802 no 7_655
H8 H11 2.6807 no 7_656
H8 H13 3.3218 no 4_555
H8 H16 3.5725 no 1_554
H8 H16 3.3389 no 7_656
H9 O1 3.2906 no 3_766
H9 O1 2.6802 no 4_565
H9 C2 3.3893 no 4_565
H9 C8 3.5431 no 6_655
H9 H8 2.9355 no 6_655
H9 H9 3.4641 no 2_756
H9 H11 3.0737 no 4_564
H9 H13 3.3202 no 6_655
H9 H13 2.9121 no 7_655
H10 C11 3.5957 no 7_656
H10 C16 3.3679 no 7_656
H10 H8 3.5802 no 7_655
H10 H10 3.2744 no 7_655
H10 H11 3.1224 no 7_656
H10 H16 3.0331 no 1_554
H10 H16 2.6766 no 7_656
H11 O1 3.5356 no 2_756
H11 C8 3.2404 no 7_656
H11 C10 3.4726 no 7_656
H11 C13 3.3446 no 6_655
H11 H8 2.6807 no 7_656
H11 H9 3.0737 no 4_565
H11 H10 3.1224 no 7_656
H11 H13 2.5770 no 6_655
H12 C12 3.4113 no 3_755
H12 C14 3.2248 no 3_755
H12 H12 3.5254 no 2_754
H12 H12 3.2072 no 3_755
H12 H14 3.1182 no 2_754
H12 H14 2.8937 no 3_755
H12 H15 3.5736 no 1_554
H13 O1 3.5945 no 7_655
H13 C6 3.2602 no 7_655
H13 C8 3.3626 no 4_554
H13 C9 2.9534 no 7_655
H13 C11 3.3303 no 6_645
H13 C11 3.5199 no 7_655
H13 H8 3.3218 no 4_554
H13 H9 3.3202 no 6_645
H13 H9 2.9121 no 7_655
H13 H11 2.5770 no 6_645
H14 C7 3.2374 no 4_554
H14 C8 3.4671 no 4_554
H14 C10 3.3397 no 4_554
H14 C12 3.4484 no 3_755
H14 C12 3.2204 no 4_554
H14 C13 3.4721 no 4_554
H14 C14 3.3641 no 4_554
H14 H12 3.1182 no 2_754
H14 H12 2.8937 no 3_755
H14 H14 3.3976 no 2_754
H14 H15 3.4328 no 1_554
H15 C12 3.2563 no 1_556
H15 C13 3.4798 no 1_556
H15 C14 3.1724 no 1_556
H15 C16 3.5785 no 7_656
H15 H12 3.5736 no 1_556
H15 H14 3.4328 no 1_556
H15 H16 3.4763 no 7_656
H16 C7 3.1697 no 1_556
H16 C8 3.2370 no 1_556
H16 C10 2.8838 no 1_556
H16 C10 3.4839 no 7_656
H16 C15 3.5932 no 7_656
H16 H8 3.5725 no 1_556
H16 H8 3.3389 no 7_656
H16 H10 3.0331 no 1_556
H16 H10 2.6766 no 7_656
H16 H15 3.4763 no 7_656
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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C3 Si17 C3 C2 -0.9(2) no . 2_755 2_755
C3 Si17 C3 C4 -170.5(4) no . 2_755 2_755
C3 Si17 C3 C2 -0.9(2) no 2_755 . .
C3 Si17 C3 C4 -170.5(4) no 2_755 . .
C3 Si17 C7 C10 -6.8(4) no . . .
C3 Si17 C7 C12 171.0(3) no . . .
C7 Si17 C3 C2 -117.0(2) no . . .
C7 Si17 C3 C4 73.4(5) no . . .
C3 Si17 C7 C10 -109.4(3) no . 2_755 2_755
C3 Si17 C7 C12 68.3(3) no . 2_755 2_755
C7 Si17 C3 C2 115.6(2) no 2_755 . .
C7 Si17 C3 C4 -54.0(5) no 2_755 . .
C3 Si17 C7 C10 -109.4(3) no 2_755 . .
C3 Si17 C7 C12 68.3(3) no 2_755 . .
C7 Si17 C3 C2 115.6(2) no . 2_755 2_755
C7 Si17 C3 C4 -54.0(5) no . 2_755 2_755
C3 Si17 C7 C10 -6.8(4) no 2_755 2_755 2_755
C3 Si17 C7 C12 171.0(3) no 2_755 2_755 2_755
C7 Si17 C3 C2 -117.0(2) no 2_755 2_755 2_755
C7 Si17 C3 C4 73.4(5) no 2_755 2_755 2_755
C7 Si17 C7 C10 121.8(3) no . 2_755 2_755
C7 Si17 C7 C12 -60.4(4) no . 2_755 2_755
C7 Si17 C7 C10 121.8(3) no 2_755 . .
C7 Si17 C7 C12 -60.4(4) no 2_755 . .
C2 O1 C6 C4 -0.8(3) no . . .
C2 O1 C6 C9 178.8(3) no . . .
C6 O1 C2 C2 -176.2(3) no . . 2_755
C6 O1 C2 C3 0.6(4) no . . .
O1 C2 C2 O1 -10.1(6) no . 2_755 2_755
O1 C2 C2 C3 173.2(3) no . 2_755 2_755
O1 C2 C3 Si17 -174.6(2) no . . .
O1 C2 C3 C4 -0.2(4) no . . .
C2 C2 C3 Si17 2.5(4) no 2_755 . .
C2 C2 C3 C4 176.9(3) no 2_755 . .
C3 C2 C2 O1 173.2(3) no . 2_755 2_755
C3 C2 C2 C3 -3.6(5) no . 2_755 2_755
Si17 C3 C4 C6 169.4(4) no . . .
Si17 C3 C4 C15 -11.6(8) no . . .
C2 C3 C4 C6 -0.3(3) no . . .
C2 C3 C4 C15 178.7(4) no . . .
C3 C4 C6 O1 0.7(4) no . . .
C3 C4 C6 C9 -178.9(3) no . . .
C3 C4 C15 C16 180.0(3) no . . .
C6 C4 C15 C16 -1.1(5) no . . .
C15 C4 C6 O1 -178.5(3) no . . .
C15 C4 C6 C9 1.9(5) no . . .
O1 C6 C9 C11 179.1(3) no . . .
C4 C6 C9 C11 -1.3(6) no . . .
Si17 C7 C10 C8 176.7(3) no . . .
Si17 C7 C12 C14 -176.6(3) no . . .
C10 C7 C12 C14 1.3(7) no . . .
C12 C7 C10 C8 -1.1(7) no . . .
C10 C8 C13 C14 -0.7(9) no . . .
C13 C8 C10 C7 0.8(8) no . . .
C6 C9 C11 C16 -0.0(6) no . . .
C9 C11 C16 C15 0.7(7) no . . .
C7 C12 C14 C13 -1.2(8) no . . .
C8 C13 C14 C12 0.8(9) no . . .
C4 C15 C16 C11 -0.1(6) no . . .
