#------------------------------------------------------------------------------
#$Date: 2025-12-09 00:54:59 +0100 (Tue 09 de Dec de 2025) $
#$Revision: 304134 $
#$URL: svn://www.crystallography.net/cod/cif/7/25/14/7251421.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_7251421
loop_
_publ_author_name
'Peloquin, Andrew J.'
'Pelendage, Lahiruni'
'Alapati, Srikar'
'Hanks, Timothy'
'McMillen, Colin'
'Pennington, William'
_publ_section_title
;
 When Halogen Bonding Isn't Enough: Solvation Behavior in Cocrystals of
 Benzyltrimethylammonium Halides and 1,4-Diiodotetrafluorobenzene
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D5CE00832H
_journal_year                    2025
_chemical_formula_moiety         '2(C3 F2 I), Cl, C3 H6 O, C10 H16 N'
_chemical_formula_sum            'C19 H22 Cl F4 I2 N O'
_chemical_formula_weight         645.648
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_Int_Tables_number      14
_atom_sites_solution_primary     dual
_audit_creation_date             2024-03-09
_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_audit_update_record
;
2025-07-29 deposited with the CCDC.	2025-11-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.019(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.4201(6)
_cell_length_b                   16.9744(13)
_cell_length_c                   18.5377(14)
_cell_measurement_reflns_used    9996
_cell_measurement_temperature    99.99
_cell_measurement_theta_max      30.57
_cell_measurement_theta_min      2.24
_cell_volume                     2291.8(3)
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_collection       'APEX3 v2017.3-0 (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015b)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2015a)'
_diffrn_ambient_temperature      99.99
_diffrn_measured_fraction_theta_full 0.9998
_diffrn_measured_fraction_theta_max 0.9924
_diffrn_measurement_device_type  'Bruker D8 Venture Photon 2'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0443
_diffrn_reflns_av_unetI/netI     0.0261
_diffrn_reflns_Laue_measured_fraction_full 0.9998
_diffrn_reflns_Laue_measured_fraction_max 0.9924
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            55234
_diffrn_reflns_point_group_measured_fraction_full 0.9998
_diffrn_reflns_point_group_measured_fraction_max 0.9924
_diffrn_reflns_theta_full        25.2417
_diffrn_reflns_theta_max         30.59
_diffrn_reflns_theta_min         2.24
_diffrn_source                   'Incoatec I\mS'
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.902
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6096
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v2016/2 (Bruker AXS Inc., 2017)'
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.871
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1238.179
_exptl_crystal_size_max          0.218
_exptl_crystal_size_mid          0.134
_exptl_crystal_size_min          0.112
_exptl_transmission_factor_max   'not measured'
_exptl_transmission_factor_min   'not measured'
_refine_diff_density_max         1.1751
_refine_diff_density_min         -1.0803
_refine_diff_density_rms         0.2045
_refine_ls_d_res_high            0.6982
_refine_ls_d_res_low             9.0980
_refine_ls_goodness_of_fit_ref   1.0616
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    33
_refine_ls_number_parameters     258
_refine_ls_number_reflns         7007
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.0616
_refine_ls_R_factor_all          0.0443
_refine_ls_R_factor_gt           0.0312
_refine_ls_shift/su_max          -0.0002
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0000P)²+13.0972P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0588
_refine_ls_wR_factor_ref         0.0708
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              9
_reflns_limit_h_min              -10
_reflns_limit_k_max              24
_reflns_limit_k_min              0
_reflns_limit_l_max              26
_reflns_limit_l_min              -8
_reflns_number_gt                5929
_reflns_number_total             7007
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            d5ce00832h2.cif
_cod_data_source_block           NMe3BzCl_pF4DIB_acetone
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 
;
_cod_database_code               7251421
_olex2_refinement_description
;
1.a Secondary CH2 refined with riding coordinates:
 C4(H4a,H4b)
1.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C8(H8), C9(H9), C10(H10)
1.c Idealised Me refined as rotating group:
 C17(H17a,H17b,H17c), C19(H19a,H19b,H19c), C1(H1a,H1b,H1c), C2(H2a,H2b,H2c),
 C3(H3a,H3b,H3c)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,y+1/2,-z+1/2
3 -x,-y,-z
4 x-1/2,-y-1/2,z-1/2
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_refinement_flags_posn
I1 I 0.61957(3) 0.840987(12) 0.397197(12) 0.01977(5) Uani 1.000000 .
F1 F 0.6439(3) 0.86758(12) 0.57066(11) 0.0248(4) Uani 1.000000 .
F2 F 0.5565(3) 0.98888(13) 0.64849(11) 0.0248(4) Uani 1.000000 .
C11 C 0.5473(4) 0.93586(19) 0.45843(18) 0.0176(6) Uani 1.000000 .
C12 C 0.5723(4) 0.93298(19) 0.53435(18) 0.0187(6) Uani 1.000000 .
C13 C 0.5268(4) 0.9954(2) 0.57482(17) 0.0181(6) Uani 1.000000 .
I2 I 0.60952(3) 0.597516(12) 0.169719(11) 0.01755(5) Uani 1.000000 .
F3 F 0.4260(3) 0.42755(12) 0.12170(11) 0.0220(4) Uani 1.000000 .
F4 F 0.3466(3) 0.35422(12) -0.00714(11) 0.0231(4) Uani 1.000000 .
C14 C 0.5443(4) 0.53869(18) 0.06882(17) 0.0166(6) Uani 1.000000 .
C15 C 0.4646(4) 0.46431(19) 0.06203(17) 0.0167(6) Uani 1.000000 .
C16 C 0.4220(4) 0.42671(18) -0.00500(18) 0.0175(6) Uani 1.000000 .
Cl1 Cl 0.70519(11) 0.69837(5) 0.30806(4) 0.02130(15) Uani 1.000000 .
O1 O 0.6389(4) 0.40838(18) 0.41717(16) 0.0360(7) Uani 1.000000 .
C17 C 0.5207(6) 0.3974(3) 0.2896(2) 0.0397(10) Uani 1.000000 .
H17a H 0.3882(11) 0.3885(19) 0.2752(8) 0.0596(15) Uiso 1.000000 GR
H17b H 0.546(4) 0.4541(5) 0.2893(5) 0.0596(15) Uiso 1.000000 GR
H17c H 0.584(4) 0.3707(15) 0.2548(4) 0.0596(15) Uiso 1.000000 GR
C18 C 0.5871(5) 0.3654(2) 0.3648(2) 0.0265(7) Uani 1.000000 .
C19 C 0.5833(7) 0.2778(3) 0.3728(3) 0.0408(10) Uani 1.000000 .
H19a H 0.608(5) 0.2639(3) 0.4251(3) 0.0612(15) Uiso 1.000000 GR
H19b H 0.4620(17) 0.2579(3) 0.3497(17) 0.0612(15) Uiso 1.000000 GR
H19c H 0.677(3) 0.2542(3) 0.3488(17) 0.0612(15) Uiso 1.000000 GR
N1 N 0.7167(4) 0.88429(17) 0.87253(16) 0.0201(5) Uani 1.000000 .
C1 C 0.9063(5) 0.9097(2) 0.9083(2) 0.0249(7) Uani 1.000000 .
H1a H 0.9242(14) 0.9651(5) 0.8966(13) 0.0373(10) Uiso 1.000000 GR
H1b H 0.9217(14) 0.9034(16) 0.9617(2) 0.0373(10) Uiso 1.000000 GR
H1c H 0.9970(5) 0.8771(11) 0.8899(12) 0.0373(10) Uiso 1.000000 GR
C2 C 0.6896(5) 0.7995(2) 0.8914(2) 0.0301(8) Uani 1.000000 .
H2a H 0.712(4) 0.7933(4) 0.9449(2) 0.0452(12) Uiso 1.000000 GR
H2b H 0.5636(14) 0.7834(6) 0.8704(14) 0.0452(12) Uiso 1.000000 GR
H2c H 0.776(3) 0.7664(3) 0.8711(15) 0.0452(12) Uiso 1.000000 GR
C3 C 0.6941(5) 0.8919(2) 0.79134(19) 0.0282(8) Uani 1.000000 .
H3a H 0.5700(15) 0.8754(17) 0.7682(2) 0.0423(12) Uiso 1.000000 GR
H3b H 0.713(4) 0.9469(4) 0.7786(2) 0.0423(12) Uiso 1.000000 GR
H3c H 0.784(3) 0.8585(14) 0.7738(3) 0.0423(12) Uiso 1.000000 GR
C4 C 0.5724(5) 0.93203(19) 0.90212(19) 0.0197(6) Uani 1.000000 .
H4a H 0.4495(5) 0.91622(19) 0.87514(19) 0.0237(7) Uiso 1.000000 R
H4b H 0.5794(5) 0.91808(19) 0.95443(19) 0.0237(7) Uiso 1.000000 R
C5 C 0.5897(4) 1.0202(2) 0.89647(19) 0.0188(6) Uani 1.000000 .
C6 C 0.5121(5) 1.0614(2) 0.8326(2) 0.0243(7) Uani 1.000000 .
H6 H 0.4522(5) 1.0333(2) 0.7904(2) 0.0292(8) Uiso 1.000000 R
C7 C 0.5222(5) 1.1431(2) 0.8308(2) 0.0293(8) Uani 1.000000 .
H7 H 0.4701(5) 1.1706(2) 0.7872(2) 0.0352(9) Uiso 1.000000 R
C8 C 0.6078(5) 1.1843(2) 0.8921(2) 0.0308(8) Uani 1.000000 .
H8 H 0.6139(5) 1.2402(2) 0.8906(2) 0.0370(10) Uiso 1.000000 R
C9 C 0.6846(5) 1.1444(2) 0.9558(2) 0.0281(8) Uani 1.000000 .
H9 H 0.7429(5) 1.1727(2) 0.9980(2) 0.0337(9) Uiso 1.000000 R
C10 C 0.6761(5) 1.0625(2) 0.9576(2) 0.0221(7) Uani 1.000000 .
H10 H 0.7298(5) 1.0352(2) 1.0012(2) 0.0265(8) Uiso 1.000000 R
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
C 0.00313 0.00162 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.21560 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
Cl 0.14908 0.15974 11.46040 7.19640 6.25560 1.64550 0.01040 1.16620 18.51940
47.77840 -9.55740 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
F 0.01756 0.01033 3.53920 2.64120 1.51700 1.02430 10.28250 4.29440 0.26150
26.14760 0.27760 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.00304 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
I -0.43777 1.82087 20.14720 18.99490 7.51380 2.27350 4.34700 0.38140 27.76600
66.87760 4.07120 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
N 0.00612 0.00332 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.52900 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
O 0.01085 0.00610 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.25080 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Brennan, Cowan, Rev. Sci. Instrum., 1992, 63, 850'
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
C12 C11 I1 121.6(2) . . ?
C13 C11 I1 121.8(2) 3_676 . ?
C13 C11 C12 116.6(3) 3_676 . ?
C11 C12 F1 119.9(3) . . ?
C13 C12 F1 118.3(3) . . ?
C13 C12 C11 121.8(3) . . ?
C11 C13 F2 119.7(3) 3_676 . ?
C12 C13 F2 118.7(3) . . ?
C12 C13 C11 121.6(3) . 3_676 ?
C15 C14 I2 122.4(2) . . ?
C16 C14 I2 120.8(2) 3_665 . ?
C16 C14 C15 116.8(3) 3_665 . ?
C14 C15 F3 120.0(3) . . ?
C16 C15 F3 118.5(3) . . ?
C16 C15 C14 121.5(3) . . ?
C14 C16 F4 120.2(3) 3_665 . ?
C15 C16 F4 118.1(3) . . ?
C15 C16 C14 121.7(3) . 3_665 ?
H17b C17 H17a 109.5 . . ?
H17c C17 H17a 109.5 . . ?
H17c C17 H17b 109.5 . . ?
C18 C17 H17a 109.5 . . ?
C18 C17 H17b 109.5 . . ?
C18 C17 H17c 109.5 . . ?
C17 C18 O1 121.7(4) . . ?
C19 C18 O1 121.8(4) . . ?
C19 C18 C17 116.5(4) . . ?
H19a C19 C18 109.5 . . ?
H19b C19 C18 109.5 . . ?
H19b C19 H19a 109.5 . . ?
H19c C19 C18 109.5 . . ?
H19c C19 H19a 109.5 . . ?
H19c C19 H19b 109.5 . . ?
C2 N1 C1 109.2(3) . . ?
C3 N1 C1 109.7(3) . . ?
C3 N1 C2 108.9(3) . . ?
C4 N1 C1 110.6(3) . . ?
C4 N1 C2 106.9(3) . . ?
C4 N1 C3 111.5(3) . . ?
H1a C1 N1 109.5 . . ?
H1b C1 N1 109.5 . . ?
H1b C1 H1a 109.5 . . ?
H1c C1 N1 109.5 . . ?
H1c C1 H1a 109.5 . . ?
H1c C1 H1b 109.5 . . ?
H2a C2 N1 109.5 . . ?
H2b C2 N1 109.5 . . ?
H2b C2 H2a 109.5 . . ?
H2c C2 N1 109.5 . . ?
H2c C2 H2a 109.5 . . ?
H2c C2 H2b 109.5 . . ?
H3a C3 N1 109.5 . . ?
H3b C3 N1 109.5 . . ?
H3b C3 H3a 109.5 . . ?
H3c C3 N1 109.5 . . ?
H3c C3 H3a 109.5 . . ?
H3c C3 H3b 109.5 . . ?
H4a C4 N1 108.45(17) . . ?
H4b C4 N1 108.45(17) . . ?
H4b C4 H4a 107.5 . . ?
C5 C4 N1 115.3(3) . . ?
C5 C4 H4a 108.45(18) . . ?
C5 C4 H4b 108.45(19) . . ?
C6 C5 C4 121.8(3) . . ?
C10 C5 C4 119.2(3) . . ?
C10 C5 C6 118.8(3) . . ?
H6 C6 C5 119.9(2) . . ?
C7 C6 C5 120.2(4) . . ?
C7 C6 H6 119.9(2) . . ?
H7 C7 C6 119.8(2) . . ?
C8 C7 C6 120.3(4) . . ?
C8 C7 H7 119.8(2) . . ?
H8 C8 C7 120.0(2) . . ?
C9 C8 C7 120.1(4) . . ?
C9 C8 H8 120.0(2) . . ?
H9 C9 C8 120.1(2) . . ?
C10 C9 C8 119.8(4) . . ?
C10 C9 H9 120.1(2) . . ?
C9 C10 C5 120.8(3) . . ?
H10 C10 C5 119.6(2) . . ?
H10 C10 C9 119.6(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
I1 C11 2.098(3) . ?
F1 C12 1.353(4) . ?
F2 C13 1.346(4) . ?
C11 C12 1.385(4) . ?
C11 C13 1.383(5) 3_676 ?
C12 C13 1.377(5) . ?
I2 C14 2.094(3) . ?
F3 C15 1.347(3) . ?
F4 C16 1.349(4) . ?
C14 C15 1.390(4) . ?
C14 C16 1.386(4) 3_665 ?
C15 C16 1.379(4) . ?
O1 C18 1.216(5) . ?
C17 H17a 0.9800 . ?
C17 H17b 0.9800 . ?
C17 H17c 0.9800 . ?
C17 C18 1.490(5) . ?
C18 C19 1.495(6) . ?
C19 H19a 0.9800 . ?
C19 H19b 0.9800 . ?
C19 H19c 0.9800 . ?
N1 C1 1.499(4) . ?
N1 C2 1.504(5) . ?
N1 C3 1.488(4) . ?
N1 C4 1.526(4) . ?
C1 H1a 0.9800 . ?
C1 H1b 0.9800 . ?
C1 H1c 0.9800 . ?
C2 H2a 0.9800 . ?
C2 H2b 0.9800 . ?
C2 H2c 0.9800 . ?
C3 H3a 0.9800 . ?
C3 H3b 0.9800 . ?
C3 H3c 0.9800 . ?
C4 H4a 0.9900 . ?
C4 H4b 0.9900 . ?
C4 C5 1.507(5) . ?
C5 C6 1.400(5) . ?
C5 C10 1.391(5) . ?
C6 H6 0.9500 . ?
C6 C7 1.390(5) . ?
C7 H7 0.9500 . ?
C7 C8 1.382(6) . ?
C8 H8 0.9500 . ?
C8 C9 1.387(6) . ?
C9 H9 0.9500 . ?
C9 C10 1.392(5) . ?
C10 H10 0.9500 . ?
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
I1 C11 C12 F1 -0.4(3) . . . . ?
I1 C11 C12 C13 179.3(2) . . . . ?
I1 C11 C13 F2 1.0(3) . . 3_676 3_676 ?
I1 C11 C13 C12 -179.3(2) . . 3_676 3_676 ?
F1 C12 C11 C13 179.9(3) . . . 3_676 ?
F1 C12 C13 F2 0.4(3) . . . . ?
F1 C12 C13 C11 -179.9(3) . . . 3_676 ?
F2 C13 C11 C12 179.3(3) . . 3_676 3_676 ?
F2 C13 C12 C11 -179.3(3) . . . . ?
C11 C12 C13 C11 0.3(3) . . . 3_676 ?
C11 C13 C12 C11 0.3(3) 3_676 . . . ?
I2 C14 C15 F3 0.2(3) . . . . ?
I2 C14 C15 C16 179.7(2) . . . . ?
I2 C14 C16 F4 -0.1(3) . . 3_665 3_665 ?
I2 C14 C16 C15 -179.7(2) . . 3_665 3_665 ?
F3 C15 C14 C16 -179.2(3) . . . 3_665 ?
F3 C15 C16 F4 -1.1(3) . . . . ?
F3 C15 C16 C14 179.2(3) . . . 3_665 ?
F4 C16 C14 C15 -179.3(3) . . 3_665 3_665 ?
F4 C16 C15 C14 179.3(3) . . . . ?
C14 C15 C16 C14 -0.3(3) . . . 3_665 ?
C14 C16 C15 C14 -0.3(3) 3_665 . . . ?
N1 C4 C5 C6 85.5(3) . . . . ?
N1 C4 C5 C10 -98.3(3) . . . . ?
C4 C5 C6 C7 176.5(3) . . . . ?
C4 C5 C10 C9 -176.1(3) . . . . ?
C5 C6 C7 C8 -0.5(4) . . . . ?
C5 C10 C9 C8 -0.6(4) . . . . ?
C6 C7 C8 C9 0.2(4) . . . . ?
C7 C8 C9 C10 0.3(5) . . . . ?
