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#$Date: 2023-05-15 11:46:00 +0300 (Mon, 15 May 2023) $
#$Revision: 283771 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/72/8107206.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_8107206
loop_
_publ_author_name
'Wang, Xia'
'Dong, Yani'
'Zeng, Wulan'
'Zhang, Xiaolong'
'Zhou, Mengying'
'Chen, Keyu'
_publ_section_title
;
 The crystal structure of dimethylammonium
 8-[(7,9-dioxo-6,10-dioxaspiro[4.5]decan-8-ylidene)methyl]-9-oxo-6,10-dioxaspiro[4.5]dec-7-en-7-olate,
 C19H25NO8
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              751
_journal_page_last               753
_journal_paper_doi               10.1515/ncrs-2022-0200
_journal_volume                  237
_journal_year                    2022
_chemical_formula_moiety         'C17 H17 O8, C2 H8 N'
_chemical_formula_sum            'C19 H25 N O8'
_chemical_formula_weight         395.40
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_cell_angle_alpha                90
_cell_angle_beta                 97.58(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.149(2)
_cell_length_b                   12.338(3)
_cell_length_c                   15.898(3)
_cell_measurement_reflns_used    10647
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.03
_cell_volume                     1973.3(7)
_computing_cell_refinement       'Rapid Auto Ver 2.40(Rigaku 2003)'
_computing_data_collection       'Rapid Auto Ver 2.40(Rigaku 2003)'
_computing_data_reduction        'Rapid Auto Ver 2.40(Rigaku 2003)'
_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, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Spider Rapid IP Area Detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0283
_diffrn_reflns_av_unetI/netI     0.0250
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            18636
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         3.031
_exptl_absorpt_coefficient_mu    0.104
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.286
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Empirical Absorption Correction   March 2001 T Higashi'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.331
_exptl_crystal_description       block
_exptl_crystal_F_000             840
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.389
_refine_diff_density_min         -0.330
_refine_diff_density_rms         0.077
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         4510
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0687
_refine_ls_R_factor_gt           0.0581
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1113P)²+0.1944P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1681
_refine_ls_wR_factor_ref         0.1842
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3509
_reflns_number_total             4510
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_j_ncrs-2022-0200_suppl.cif
_cod_data_source_block           1
_cod_original_cell_volume        1973.2(7)
_cod_database_code               8107206
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 N1(H1C,H1D), C14(H14A,H14B), C15(H15A,H15B), C16(H16A,H16B), C17(H17A,H17B),
 C4(H4A,H4B), C2(H2A,H2B), C3(H3A,H3B), C1(H1A,H1B)
2.b Me refined with riding coordinates:
 C19(H19A,H19B,H19C), C18(H18A,H18B,H18C)
2.c Aromatic/amide H refined with riding coordinates:
 C9(H9)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.0582(2) 0.7744(3) 0.16269(19) 0.1016(8) Uani 1 1 d . . . . .
H1A H 0.016646 0.707336 0.141354 0.122 Uiso 1 1 calc R U . . .
H1B H 0.010620 0.802198 0.207187 0.122 Uiso 1 1 calc R U . . .
C2 C 0.0573(3) 0.8549(2) 0.0933(2) 0.1230(11) Uani 1 1 d . . . . .
H2A H 0.028479 0.820712 0.039043 0.148 Uiso 1 1 calc R U . . .
H2B H -0.003830 0.913301 0.101207 0.148 Uiso 1 1 calc R U . . .
C3 C 0.1929(3) 0.8981(2) 0.09462(15) 0.1006(8) Uani 1 1 d . . . . .
H3A H 0.191210 0.976620 0.091608 0.121 Uiso 1 1 calc R U . . .
H3B H 0.233136 0.870410 0.046872 0.121 Uiso 1 1 calc R U . . .
C4 C 0.2712(2) 0.86054(15) 0.17823(12) 0.0706(5) Uani 1 1 d . . . . .
H4A H 0.364026 0.848653 0.172219 0.085 Uiso 1 1 calc R U . . .
H4B H 0.265458 0.913094 0.222977 0.085 Uiso 1 1 calc R U . . .
C5 C 0.20377(18) 0.75584(16) 0.19627(12) 0.0673(4) Uani 1 1 d . . . . .
C6 C 0.33382(17) 0.68909(14) 0.32116(10) 0.0603(4) Uani 1 1 d . . . . .
C7 C 0.37644(18) 0.62979(13) 0.17834(10) 0.0607(4) Uani 1 1 d . . . . .
C8 C 0.42601(16) 0.65072(12) 0.26652(9) 0.0537(4) Uani 1 1 d . . . . .
C9 C 0.54908(16) 0.61385(12) 0.30560(9) 0.0532(4) Uani 1 1 d . . . . .
H9 H 0.555255 0.605403 0.364119 0.064 Uiso 1 1 calc R U . . .
C10 C 0.66246(16) 0.58808(12) 0.27147(9) 0.0521(3) Uani 1 1 d . . . . .
C11 C 0.69319(16) 0.63315(11) 0.19257(9) 0.0523(3) Uani 1 1 d . . . . .
C12 C 0.76714(18) 0.52760(15) 0.32288(10) 0.0634(4) Uani 1 1 d . . . . .
C13 C 0.83700(16) 0.48106(13) 0.19135(10) 0.0567(4) Uani 1 1 d . . . . .
C14 C 0.73605(18) 0.39344(13) 0.16208(10) 0.0608(4) Uani 1 1 d . . . . .
H14A H 0.646568 0.422735 0.154736 0.073 Uiso 1 1 calc R U . . .
H14B H 0.740876 0.334662 0.202886 0.073 Uiso 1 1 calc R U . . .
C15 C 0.7741(2) 0.35405(17) 0.07757(12) 0.0766(5) Uani 1 1 d . . . . .
H15A H 0.782773 0.275755 0.077907 0.092 Uiso 1 1 calc R U . . .
H15B H 0.706294 0.374459 0.031480 0.092 Uiso 1 1 calc R U . . .
C16 C 0.9053(2) 0.4065(2) 0.06607(14) 0.0832(6) Uani 1 1 d . . . . .
H16A H 0.892135 0.464701 0.024814 0.100 Uiso 1 1 calc R U . . .
H16B H 0.965695 0.353697 0.046959 0.100 Uiso 1 1 calc R U . . .
C17 C 0.96002(19) 0.45015(19) 0.15271(14) 0.0777(5) Uani 1 1 d . . . . .
H17A H 1.010821 0.395182 0.186477 0.093 Uiso 1 1 calc R U . . .
H17B H 1.016304 0.512755 0.147783 0.093 Uiso 1 1 calc R U . . .
C18 C 0.0416(2) 0.6622(2) 0.46716(17) 0.0914(6) Uani 1 1 d . . . . .
H18A H 0.068424 0.592019 0.489224 0.137 Uiso 1 1 calc R U . . .
H18B H -0.036059 0.685346 0.490754 0.137 Uiso 1 1 calc R U . . .
H18C H 0.021790 0.658278 0.406501 0.137 Uiso 1 1 calc R U . . .
C19 C 0.1189(2) 0.85049(17) 0.45933(14) 0.0816(6) Uani 1 1 d . . . . .
H19A H 0.193778 0.896636 0.476634 0.122 Uiso 1 1 calc R U . . .
H19B H 0.100555 0.850048 0.398523 0.122 Uiso 1 1 calc R U . . .
H19C H 0.042706 0.877115 0.482775 0.122 Uiso 1 1 calc R U . . .
N1 N 0.14923(14) 0.73976(12) 0.49000(8) 0.0606(4) Uani 1 1 d . . . . .
H1C H 0.221315 0.716586 0.469052 0.073 Uiso 1 1 calc R U . . .
H1D H 0.168302 0.741391 0.546262 0.073 Uiso 1 1 calc R U . . .
O1 O 0.42965(15) 0.57573(12) 0.12902(8) 0.0790(4) Uani 1 1 d . . . . .
O2 O 0.35362(14) 0.68833(12) 0.39906(7) 0.0756(4) Uani 1 1 d . . . . .
O3 O 0.25108(13) 0.66764(11) 0.15063(8) 0.0734(4) Uani 1 1 d . . . . .
O4 O 0.21593(13) 0.72885(12) 0.28451(9) 0.0760(4) Uani 1 1 d . . . . .
O5 O 0.64653(14) 0.71522(9) 0.15935(8) 0.0704(4) Uani 1 1 d . . . . .
O6 O 0.77449(17) 0.51038(15) 0.39792(8) 0.0931(5) Uani 1 1 d . . . . .
O7 O 0.79328(11) 0.58501(9) 0.15707(7) 0.0595(3) Uani 1 1 d . . . . .
O8 O 0.86736(12) 0.49047(11) 0.28114(7) 0.0714(4) 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
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'
N N 0.0061 0.0033 '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
C11 O7 C13 116.16(12) . .
C12 O8 C13 115.96(12) . .
C6 O4 C5 117.64(13) . .
C9 C10 C11 122.87(14) . .
C9 C10 C12 118.95(13) . .
C11 C10 C12 117.35(14) . .
C10 C9 H9 114.8 . .
C10 C9 C8 130.33(14) . .
C8 C9 H9 114.8 . .
H1C N1 H1D 107.6 . .
C19 N1 H1C 108.7 . .
C19 N1 H1D 108.7 . .
C18 N1 H1C 108.7 . .
C18 N1 H1D 108.7 . .
C18 N1 C19 114.18(17) . .
O7 C11 C10 116.78(13) . .
O5 C11 O7 117.05(13) . .
O5 C11 C10 125.81(14) . .
C7 O3 C5 117.17(13) . .
C9 C8 C7 123.28(14) . .
C9 C8 C6 116.98(14) . .
C6 C8 C7 118.20(15) . .
O3 C7 C8 116.03(14) . .
O1 C7 O3 117.00(15) . .
O1 C7 C8 126.71(16) . .
O7 C13 C14 110.85(13) . .
O7 C13 C17 107.49(15) . .
O8 C13 O7 108.76(12) . .
O8 C13 C14 114.39(14) . .
O8 C13 C17 110.28(14) . .
C17 C13 C14 104.82(14) . .
O4 C6 C8 117.92(14) . .
O2 C6 O4 117.08(15) . .
O2 C6 C8 125.00(16) . .
C13 C14 H14A 110.8 . .
C13 C14 H14B 110.8 . .
C13 C14 C15 104.93(15) . .
H14A C14 H14B 108.8 . .
C15 C14 H14A 110.8 . .
C15 C14 H14B 110.8 . .
O8 C12 C10 115.73(13) . .
O6 C12 O8 118.01(16) . .
O6 C12 C10 126.23(16) . .
C14 C15 H15A 110.2 . .
C14 C15 H15B 110.2 . .
H15A C15 H15B 108.5 . .
C16 C15 C14 107.41(16) . .
C16 C15 H15A 110.2 . .
C16 C15 H15B 110.2 . .
C15 C16 H16A 110.7 . .
C15 C16 H16B 110.7 . .
C15 C16 C17 105.37(16) . .
H16A C16 H16B 108.8 . .
C17 C16 H16A 110.7 . .
C17 C16 H16B 110.7 . .
C13 C17 C16 103.66(16) . .
C13 C17 H17A 111.0 . .
C13 C17 H17B 111.0 . .
C16 C17 H17A 111.0 . .
C16 C17 H17B 111.0 . .
H17A C17 H17B 109.0 . .
O4 C5 C4 113.79(16) . .
O4 C5 C1 109.47(18) . .
O3 C5 O4 109.26(15) . .
O3 C5 C4 111.44(16) . .
O3 C5 C1 108.26(18) . .
C4 C5 C1 104.39(18) . .
N1 C19 H19A 109.5 . .
N1 C19 H19B 109.5 . .
N1 C19 H19C 109.5 . .
H19A C19 H19B 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C5 C4 H4A 111.1 . .
C5 C4 H4B 111.1 . .
C5 C4 C3 103.19(18) . .
H4A C4 H4B 109.1 . .
C3 C4 H4A 111.1 . .
C3 C4 H4B 111.1 . .
H2A C2 H2B 108.4 . .
C3 C2 H2A 110.0 . .
C3 C2 H2B 110.0 . .
C3 C2 C1 108.5(2) . .
C1 C2 H2A 110.0 . .
C1 C2 H2B 110.0 . .
C4 C3 H3A 110.5 . .
C4 C3 H3B 110.5 . .
C2 C3 C4 106.3(2) . .
C2 C3 H3A 110.5 . .
C2 C3 H3B 110.5 . .
H3A C3 H3B 108.7 . .
N1 C18 H18A 109.5 . .
N1 C18 H18B 109.5 . .
N1 C18 H18C 109.5 . .
H18A C18 H18B 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C5 C1 H1A 110.6 . .
C5 C1 H1B 110.6 . .
C2 C1 C5 105.8(2) . .
C2 C1 H1A 110.6 . .
C2 C1 H1B 110.6 . .
H1A C1 H1B 108.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O7 C11 1.3617(18) .
O7 C13 1.441(2) .
O8 C13 1.4247(19) .
O8 C12 1.365(2) .
O5 C11 1.2093(19) .
O4 C6 1.352(2) .
O4 C5 1.431(2) .
C10 C9 1.373(2) .
C10 C11 1.443(2) .
C10 C12 1.457(2) .
O2 C6 1.228(2) .
C9 H9 0.9300 .
C9 C8 1.396(2) .
N1 H1C 0.8900 .
N1 H1D 0.8900 .
N1 C19 1.469(2) .
N1 C18 1.461(3) .
O3 C7 1.372(2) .
O3 C5 1.426(2) .
O1 C7 1.209(2) .
C8 C7 1.449(2) .
C8 C6 1.438(2) .
O6 C12 1.204(2) .
C13 C14 1.519(2) .
C13 C17 1.511(2) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C14 C15 1.525(2) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C15 C16 1.513(3) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C16 C17 1.514(3) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C5 C4 1.507(3) .
C5 C1 1.520(3) .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C4 C3 1.528(3) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C2 C3 1.473(4) .
C2 C1 1.483(4) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
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
_geom_hbond_publ_flag
N1 H1C O2 0.89 1.89 2.7543(19) 164.7 . yes
N1 H1D O5 0.89 1.92 2.7525(19) 155.8 4_576 yes
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
O7 C13 C14 C15 87.45(16) . . . .
O7 C13 C17 C16 -80.31(19) . . . .
O8 C13 C14 C15 -149.14(14) . . . .
O8 C13 C17 C16 161.27(16) . . . .
O4 C5 C4 C3 -153.74(17) . . . .
O4 C5 C1 C2 150.0(2) . . . .
C10 C9 C8 C7 25.2(3) . . . .
C10 C9 C8 C6 -169.22(16) . . . .
C9 C10 C11 O7 -166.91(14) . . . .
C9 C10 C11 O5 20.2(3) . . . .
C9 C10 C12 O8 170.34(15) . . . .
C9 C10 C12 O6 -11.7(3) . . . .
C9 C8 C7 O3 177.26(15) . . . .
C9 C8 C7 O1 3.3(3) . . . .
C9 C8 C6 O4 177.63(15) . . . .
C9 C8 C6 O2 -2.6(3) . . . .
C11 O7 C13 O8 -52.45(17) . . . .
C11 O7 C13 C14 74.13(16) . . . .
C11 O7 C13 C17 -171.85(13) . . . .
C11 C10 C9 C8 25.0(3) . . . .
C11 C10 C12 O8 -19.8(2) . . . .
C11 C10 C12 O6 158.16(19) . . . .
O3 C5 C4 C3 82.2(2) . . . .
O3 C5 C1 C2 -91.0(2) . . . .
C7 O3 C5 O4 -53.4(2) . . . .
C7 O3 C5 C4 73.2(2) . . . .
C7 O3 C5 C1 -172.55(18) . . . .
C7 C8 C6 O4 -16.0(2) . . . .
C7 C8 C6 O2 163.72(17) . . . .
C13 O7 C11 O5 -173.07(14) . . . .
C13 O7 C11 C10 13.4(2) . . . .
C13 O8 C12 C10 -21.1(2) . . . .
C13 O8 C12 O6 160.75(18) . . . .
C13 C14 C15 C16 8.1(2) . . . .
C6 O4 C5 O3 49.0(2) . . . .
C6 O4 C5 C4 -76.3(2) . . . .
C6 O4 C5 C1 167.39(19) . . . .
C6 C8 C7 O3 11.8(2) . . . .
C6 C8 C7 O1 -162.08(18) . . . .
C14 C13 C17 C16 37.7(2) . . . .
C14 C15 C16 C17 15.0(2) . . . .
C12 O8 C13 O7 56.67(18) . . . .
C12 O8 C13 C14 -67.86(19) . . . .
C12 O8 C13 C17 174.31(16) . . . .
C12 C10 C9 C8 -165.70(16) . . . .
C12 C10 C11 O7 23.6(2) . . . .
C12 C10 C11 O5 -149.28(17) . . . .
C15 C16 C17 C13 -32.4(2) . . . .
C17 C13 C14 C15 -28.24(19) . . . .
C5 O4 C6 O2 164.58(16) . . . .
C5 O4 C6 C8 -15.6(2) . . . .
C5 O3 C7 O1 -161.68(17) . . . .
C5 O3 C7 C8 23.8(2) . . . .
C5 C4 C3 C2 28.9(2) . . . .
C4 C5 C1 C2 27.8(3) . . . .
C3 C2 C1 C5 -9.7(3) . . . .
C1 C5 C4 C3 -34.4(2) . . . .
C1 C2 C3 C4 -11.9(3) . . . .
