#------------------------------------------------------------------------------
#$Date: 2020-11-06 14:32:22 +0200 (Fri, 06 Nov 2020) $
#$Revision: 258875 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/13/7241346.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_7241346
loop_
_publ_author_name
'Yang, Hongzhi'
'Zeng, Tianying'
'Xi, Shuang'
'Hu, Shengkun'
'Wu, Yunfei'
'Tang, Yefeng'
_publ_section_title
;
 Photoinduced, strain-promoted cycloadditions of trans-cycloheptenones and
 azides
;
_journal_issue                   20
_journal_name_full               'Green Chemistry'
_journal_page_first              7023
_journal_page_last               7030
_journal_paper_doi               10.1039/D0GC02347G
_journal_volume                  22
_journal_year                    2020
_chemical_formula_moiety         'C17 H21 N O2'
_chemical_formula_sum            'C17 H21 N O2'
_chemical_formula_weight         271.35
_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
_audit_creation_date             2020-06-24
_audit_creation_method
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_audit_update_record
;
2020-07-09 deposited with the CCDC.	2020-10-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 111.229(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.1208(3)
_cell_length_b                   7.66440(10)
_cell_length_c                   15.2725(4)
_cell_measurement_reflns_used    3471
_cell_measurement_temperature    173.00(10)
_cell_measurement_theta_max      70.1420
_cell_measurement_theta_min      3.7750
_cell_volume                     1431.63(6)
_computing_cell_refinement       'CrysAlisPro 1.171.40.14a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.40.14a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.40.14a (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      173.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2137
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -49.00  33.00   1.00    1.00    --  -40.81  38.00  30.00   82
  2  ω    -69.00  27.00   1.00    1.00    --  -40.81  77.00 120.00   96
  3  ω     73.00 158.00   1.00    1.00    --   98.72  30.00  60.00   85
  4  ω    101.00 164.00   1.00    1.00    --   98.72 125.00 -30.00   63
  5  ω    109.00 166.00   1.00    1.00    --   98.72  42.00  97.00   57
  6  ω     77.00 103.00   1.00    1.00    --   98.72  42.00  97.00   26
  7  ω     28.00 116.00   1.00    1.00    --   98.72 -45.00-120.00   88
  8  ω     18.00 107.00   1.00    1.00    --   98.72 -95.00 -90.00   89
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0289240000
_diffrn_orient_matrix_UB_12      -0.0987428000
_diffrn_orient_matrix_UB_13      0.0938129000
_diffrn_orient_matrix_UB_21      0.1151781000
_diffrn_orient_matrix_UB_22      -0.0375258000
_diffrn_orient_matrix_UB_23      -0.0004179000
_diffrn_orient_matrix_UB_31      0.0420263000
_diffrn_orient_matrix_UB_32      0.1709604000
_diffrn_orient_matrix_UB_33      0.0539391000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0150
_diffrn_reflns_av_unetI/netI     0.0172
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5160
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         70.283
_diffrn_reflns_theta_min         3.818
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    0.649
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.90578
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.14a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_description       block
_exptl_crystal_F_000             584
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.4
_refine_diff_density_max         0.227
_refine_diff_density_min         -0.165
_refine_diff_density_rms         0.035
_refine_ls_extinction_coef       0.0034(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     185
_refine_ls_number_reflns         2665
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0406
_refine_ls_R_factor_gt           0.0376
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0450P)²+0.5289P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0948
_refine_ls_wR_factor_ref         0.0972
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2457
_reflns_number_total             2665
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0gc02347g2.cif
_cod_data_source_block           xs-3-87-2-2
_cod_depositor_comments
'Adding full bibliography for 7241345--7241346.cif.'
_cod_database_code               7241346
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         CHONCl
_chemical_oxdiff_usercomment     'C H N O Fe Cl'
_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.
;
_reflns_odcompleteness_completeness 99.96
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     64.99
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C007(H007), C008(H008)
2.b Secondary CH2 refined with riding coordinates:
 C00D(H00D,H00E), C00G(H00G,H00H), C00H(H00I,H00J), C00J(H00N,H00O)
2.c Aromatic/amide H refined with riding coordinates:
 C009(H009), C00F(H00F)
2.d Idealised Me refined as rotating group:
 C00C(H00A,H00B,H00C), C00I(H00K,H00L,H00M), C00K(H00P,H00Q,H00R)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.190
_oxdiff_exptl_absorpt_empirical_full_min 0.838
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
O001 O 0.58712(7) 0.42189(11) 0.43161(7) 0.0298(2) Uani 1 1 d . . . . .
O002 O 0.36977(8) 0.41516(14) 0.34315(8) 0.0448(3) Uani 1 1 d . . . . .
N003 N 0.69568(8) 0.45422(14) 0.43518(7) 0.0279(3) Uani 1 1 d . . . . .
C004 C 0.69888(10) 0.60348(16) 0.39859(8) 0.0229(3) Uani 1 1 d . . . . .
C005 C 0.80461(10) 0.67120(16) 0.39774(8) 0.0238(3) Uani 1 1 d . . . . .
C006 C 0.81669(10) 0.71422(15) 0.31256(9) 0.0241(3) Uani 1 1 d . . . . .
C007 C 0.58937(10) 0.69589(16) 0.36196(8) 0.0235(3) Uani 1 1 d . . . . .
H007 H 0.555233 0.677424 0.294029 0.028 Uiso 1 1 calc R U . . .
C008 C 0.53013(10) 0.58640(16) 0.41219(9) 0.0244(3) Uani 1 1 d . . . . .
H008 H 0.538927 0.642835 0.472076 0.029 Uiso 1 1 calc R U . . .
C009 C 0.91765(10) 0.77328(16) 0.31433(9) 0.0274(3) Uani 1 1 d . . . . .
H009 H 0.926461 0.797964 0.257869 0.033 Uiso 1 1 calc R U . . .
C00A C 0.89276(10) 0.69294(17) 0.48315(9) 0.0289(3) Uani 1 1 d . . . . .
C00B C 0.40972(10) 0.55973(18) 0.35808(9) 0.0281(3) Uani 1 1 d . . . . .
C00C C 0.72315(11) 0.70019(18) 0.21965(8) 0.0294(3) Uani 1 1 d . . . . .
H00A H 0.686995 0.590082 0.216097 0.044 Uiso 1 1 calc R U . . .
H00B H 0.750683 0.708373 0.169493 0.044 Uiso 1 1 calc R U . . .
H00C H 0.672187 0.793182 0.214165 0.044 Uiso 1 1 calc R U . . .
C00D C 0.59128(11) 0.89042(17) 0.38314(10) 0.0298(3) Uani 1 1 d . . . . .
H00D H 0.639943 0.948191 0.357349 0.036 Uiso 1 1 calc R U . . .
H00E H 0.620799 0.906958 0.450682 0.036 Uiso 1 1 calc R U . . .
C00E C 1.00566(10) 0.79646(18) 0.39793(10) 0.0314(3) Uani 1 1 d . . . . .
C00F C 0.99082(11) 0.75643(19) 0.48103(10) 0.0341(3) Uani 1 1 d . . . . .
H00F H 1.048871 0.772791 0.537549 0.041 Uiso 1 1 calc R U . . .
C00G C 0.47883(11) 0.97673(17) 0.34328(10) 0.0333(3) Uani 1 1 d . . . . .
H00G H 0.454956 0.975384 0.275289 0.040 Uiso 1 1 calc R U . . .
H00H H 0.486631 1.097910 0.362935 0.040 Uiso 1 1 calc R U . . .
C00H C 0.38887(12) 0.89460(19) 0.37136(11) 0.0362(3) Uani 1 1 d . . . . .
H00I H 0.329112 0.977297 0.357380 0.043 Uiso 1 1 calc R U . . .
H00J H 0.417597 0.876614 0.438808 0.043 Uiso 1 1 calc R U . . .
C00I C 0.88428(12) 0.6509(2) 0.57682(9) 0.0380(3) Uani 1 1 d . . . . .
H00K H 0.815317 0.691459 0.577433 0.057 Uiso 1 1 calc R U . . .
H00L H 0.942612 0.707471 0.625987 0.057 Uiso 1 1 calc R U . . .
H00M H 0.889501 0.526972 0.586612 0.057 Uiso 1 1 calc R U . . .
C00J C 0.34268(11) 0.7210(2) 0.32397(11) 0.0384(3) Uani 1 1 d . . . . .
H00N H 0.272528 0.702792 0.330316 0.046 Uiso 1 1 calc R U . . .
H00O H 0.328896 0.732922 0.257417 0.046 Uiso 1 1 calc R U . . .
C00K C 1.11421(12) 0.8638(2) 0.39941(12) 0.0429(4) Uani 1 1 d . . . . .
H00P H 1.112883 0.871698 0.336272 0.064 Uiso 1 1 calc R U . . .
H00Q H 1.171242 0.785278 0.434871 0.064 Uiso 1 1 calc R U . . .
H00R H 1.127640 0.977155 0.428018 0.064 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
N003 O001 C008 106.99(9) . . ?
C004 N003 O001 109.18(10) . . ?
N003 C004 C005 119.62(11) . . ?
N003 C004 C007 113.70(11) . . ?
C005 C004 C007 126.65(10) . . ?
C006 C005 C004 120.58(11) . . ?
C00A C005 C004 119.38(11) . . ?
C00A C005 C006 120.04(11) . . ?
C005 C006 C00C 121.91(11) . . ?
C009 C006 C005 118.96(11) . . ?
C009 C006 C00C 119.13(11) . . ?
C004 C007 H007 109.4 . . ?
C004 C007 C008 98.33(9) . . ?
C004 C007 C00D 115.99(11) . . ?
C008 C007 H007 109.4 . . ?
C00D C007 H007 109.4 . . ?
C00D C007 C008 113.80(10) . . ?
O001 C008 C007 105.30(9) . . ?
O001 C008 H008 108.5 . . ?
O001 C008 C00B 110.90(10) . . ?
C007 C008 H008 108.5 . . ?
C00B C008 C007 114.97(10) . . ?
C00B C008 H008 108.5 . . ?
C006 C009 H009 119.0 . . ?
C00E C009 C006 121.91(12) . . ?
C00E C009 H009 119.0 . . ?
C005 C00A C00I 122.42(12) . . ?
C00F C00A C005 118.60(12) . . ?
C00F C00A C00I 118.98(12) . . ?
O002 C00B C008 121.53(12) . . ?
O002 C00B C00J 122.01(12) . . ?
C00J C00B C008 116.46(11) . . ?
C006 C00C H00A 109.5 . . ?
C006 C00C H00B 109.5 . . ?
C006 C00C H00C 109.5 . . ?
H00A C00C H00B 109.5 . . ?
H00A C00C H00C 109.5 . . ?
H00B C00C H00C 109.5 . . ?
C007 C00D H00D 108.9 . . ?
C007 C00D H00E 108.9 . . ?
C007 C00D C00G 113.56(11) . . ?
H00D C00D H00E 107.7 . . ?
C00G C00D H00D 108.9 . . ?
C00G C00D H00E 108.9 . . ?
C009 C00E C00K 121.62(13) . . ?
C00F C00E C009 117.90(12) . . ?
C00F C00E C00K 120.48(13) . . ?
C00A C00F H00F 118.7 . . ?
C00E C00F C00A 122.56(12) . . ?
C00E C00F H00F 118.7 . . ?
C00D C00G H00G 108.2 . . ?
C00D C00G H00H 108.2 . . ?
C00D C00G C00H 116.23(11) . . ?
H00G C00G H00H 107.4 . . ?
C00H C00G H00G 108.2 . . ?
C00H C00G H00H 108.2 . . ?
C00G C00H H00I 108.3 . . ?
C00G C00H H00J 108.3 . . ?
C00G C00H C00J 116.01(12) . . ?
H00I C00H H00J 107.4 . . ?
C00J C00H H00I 108.3 . . ?
C00J C00H H00J 108.3 . . ?
C00A C00I H00K 109.5 . . ?
C00A C00I H00L 109.5 . . ?
C00A C00I H00M 109.5 . . ?
H00K C00I H00L 109.5 . . ?
H00K C00I H00M 109.5 . . ?
H00L C00I H00M 109.5 . . ?
C00B C00J C00H 118.09(12) . . ?
C00B C00J H00N 107.8 . . ?
C00B C00J H00O 107.8 . . ?
C00H C00J H00N 107.8 . . ?
C00H C00J H00O 107.8 . . ?
H00N C00J H00O 107.1 . . ?
C00E C00K H00P 109.5 . . ?
C00E C00K H00Q 109.5 . . ?
C00E C00K H00R 109.5 . . ?
H00P C00K H00Q 109.5 . . ?
H00P C00K H00R 109.5 . . ?
H00Q C00K H00R 109.5 . . ?
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
O001 N003 1.4272(13) . ?
O001 C008 1.4409(15) . ?
O002 C00B 1.2116(17) . ?
N003 C004 1.2805(16) . ?
C004 C005 1.4856(16) . ?
C004 C007 1.5157(16) . ?
C005 C006 1.4056(17) . ?
C005 C00A 1.4052(17) . ?
C006 C009 1.3908(17) . ?
C006 C00C 1.5067(17) . ?
C007 H007 0.9800 . ?
C007 C008 1.5260(16) . ?
C007 C00D 1.5239(17) . ?
C008 H008 0.9800 . ?
C008 C00B 1.5084(18) . ?
C009 H009 0.9300 . ?
C009 C00E 1.3883(19) . ?
C00A C00F 1.3869(19) . ?
C00A C00I 1.5093(18) . ?
C00B C00J 1.4971(19) . ?
C00C H00A 0.9600 . ?
C00C H00B 0.9600 . ?
C00C H00C 0.9600 . ?
C00D H00D 0.9700 . ?
C00D H00E 0.9700 . ?
C00D C00G 1.5280(18) . ?
C00E C00F 1.3862(19) . ?
C00E C00K 1.5073(18) . ?
C00F H00F 0.9300 . ?
C00G H00G 0.9700 . ?
C00G H00H 0.9700 . ?
C00G C00H 1.530(2) . ?
C00H H00I 0.9700 . ?
C00H H00J 0.9700 . ?
C00H C00J 1.531(2) . ?
C00I H00K 0.9600 . ?
C00I H00L 0.9600 . ?
C00I H00M 0.9600 . ?
C00J H00N 0.9700 . ?
C00J H00O 0.9700 . ?
C00K H00P 0.9600 . ?
C00K H00Q 0.9600 . ?
C00K H00R 0.9600 . ?
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
O001 N003 C004 C005 177.25(10) . . . . ?
O001 N003 C004 C007 -1.17(14) . . . . ?
O001 C008 C00B O002 6.49(17) . . . . ?
O001 C008 C00B C00J -173.46(11) . . . . ?
O002 C00B C00J C00H 160.33(13) . . . . ?
N003 O001 C008 C007 24.95(12) . . . . ?
N003 O001 C008 C00B 149.91(10) . . . . ?
N003 C004 C005 C006 121.81(13) . . . . ?
N003 C004 C005 C00A -58.52(16) . . . . ?
N003 C004 C007 C008 15.73(13) . . . . ?
N003 C004 C007 C00D 137.41(11) . . . . ?
C004 C005 C006 C009 -178.47(11) . . . . ?
C004 C005 C006 C00C 2.26(18) . . . . ?
C004 C005 C00A C00F -179.95(12) . . . . ?
C004 C005 C00A C00I -0.36(19) . . . . ?
C004 C007 C008 O001 -23.53(11) . . . . ?
C004 C007 C008 C00B -145.90(10) . . . . ?
C004 C007 C00D C00G 179.19(10) . . . . ?
C005 C004 C007 C008 -162.55(11) . . . . ?
C005 C004 C007 C00D -40.87(16) . . . . ?
C005 C006 C009 C00E -2.19(18) . . . . ?
C005 C00A C00F C00E -1.1(2) . . . . ?
C006 C005 C00A C00F -0.28(19) . . . . ?
C006 C005 C00A C00I 179.31(12) . . . . ?
C006 C009 C00E C00F 0.88(19) . . . . ?
C006 C009 C00E C00K -178.82(13) . . . . ?
C007 C004 C005 C006 -60.00(17) . . . . ?
C007 C004 C005 C00A 119.67(13) . . . . ?
C007 C008 C00B O002 125.79(13) . . . . ?
C007 C008 C00B C00J -54.16(15) . . . . ?
C007 C00D C00G C00H 54.73(16) . . . . ?
C008 O001 N003 C004 -15.36(12) . . . . ?
C008 C007 C00D C00G -67.79(14) . . . . ?
C008 C00B C00J C00H -19.72(18) . . . . ?
C009 C00E C00F C00A 0.8(2) . . . . ?
C00A C005 C006 C009 1.86(18) . . . . ?
C00A C005 C006 C00C -177.41(12) . . . . ?
C00C C006 C009 C00E 177.10(12) . . . . ?
C00D C007 C008 O001 -146.80(10) . . . . ?
C00D C007 C008 C00B 90.83(13) . . . . ?
C00D C00G C00H C00J -74.02(16) . . . . ?
C00G C00H C00J C00B 76.51(17) . . . . ?
C00I C00A C00F C00E 179.31(13) . . . . ?
C00K C00E C00F C00A -179.50(13) . . . . ?
