#------------------------------------------------------------------------------
#$Date: 2021-01-07 06:33:09 +0200 (Thu, 07 Jan 2021) $
#$Revision: 260610 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/72/7127202.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_7127202
loop_
_publ_author_name
'Tan, Heng'
'Khan, Ruhima'
'Xu, Dandan'
'Zhou, Yongyun'
'Zhang, Xuexin'
'Shi, Guangrui'
'Fan, Baomin'
_publ_section_title
;
 Cobalt-catalyzed ring-opening addition of azabenzonorbornadienes via
 C(sp³)-H bond activation of 8-methylquinoline.
;
_journal_issue                   83
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              12570
_journal_page_last               12573
_journal_paper_doi               10.1039/d0cc05374k
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C27 H24 N2 O2 S'
_chemical_formula_sum            'C27 H24 N2 O2 S'
_chemical_formula_weight         440.54
_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
_audit_update_record
;
2020-07-26 deposited with the CCDC.	2020-09-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.5120(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.1661(2)
_cell_length_b                   25.3026(5)
_cell_length_c                   10.7553(2)
_cell_measurement_reflns_used    9854
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      72.2857
_cell_measurement_theta_min      3.4935
_cell_volume                     2207.96(8)
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_collection       'Bruker Instrument Service vV6.2.9'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 882)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.(2)
_diffrn_detector_area_resol_mean 7.3910
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 QUEST PHOTON II'
_diffrn_radiation_monochromator  'Helixos MX multilayer Optic'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0373
_diffrn_reflns_av_unetI/netI     0.0231
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            25622
_diffrn_reflns_theta_full        72.44
_diffrn_reflns_theta_max         72.44
_diffrn_reflns_theta_min         3.49
_diffrn_source                   'Ius Diamond'
_diffrn_source_type              Microfocus
_exptl_absorpt_coefficient_mu    1.516
_exptl_absorpt_correction_T_max  0.83
_exptl_absorpt_correction_T_min  0.57
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_density_diffrn    1.325
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             928
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.130
_refine_diff_density_max         0.357
_refine_diff_density_min         -0.431
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     290
_refine_ls_number_reflns         4363
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0354
_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)+(0.0481P)²+0.9940P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0923
_refine_ls_wR_factor_ref         0.0949
_reflns_number_gt                4016
_reflns_number_total             4363
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc05374k2.cif
_cod_data_source_block           qth1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7127202.cif.
;
_cod_database_code               7127202
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_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
S S1 0.53807(4) 0.57618(2) 0.33672(3) 0.02061(10) Uani d . . . 1 . .
O O1 0.61818(12) 0.53890(4) 0.42411(10) 0.0258(2) Uani d . . . 1 . .
O O2 0.63405(12) 0.61475(4) 0.27846(10) 0.0270(2) Uani d . . . 1 . .
N N1 0.41122(14) 0.61008(4) 0.40697(11) 0.0228(2) Uani d . . . 1 . .
H H1A 0.408937 0.644514 0.39539 0.027 Uiso calc U . R 1 . .
N N2 0.30476(15) 0.71798(4) 0.41261(11) 0.0240(3) Uani d . . . 1 . .
C C1 0.1484(2) 0.44924(7) -0.07391(16) 0.0370(4) Uani d . . . 1 . .
H H1 0.206261 0.416326 -0.089072 0.056 Uiso calc U . R 1 . .
H H3 0.134208 0.470239 -0.150944 0.056 Uiso calc U . R 1 . .
H H4 0.04018 0.440964 -0.047841 0.056 Uiso calc U . R 1 . .
C C2 0.24807(17) 0.48032(6) 0.02789(14) 0.0277(3) Uani d . . . 1 . .
C C3 0.29899(19) 0.53172(6) 0.00553(14) 0.0294(3) Uani d . . . 1 . .
H H22 0.272442 0.546834 -0.075101 0.035 Uiso calc U . R 1 . .
C C4 0.38770(18) 0.56118(6) 0.09889(14) 0.0266(3) Uani d . . . 1 . .
H H21 0.42097 0.596247 0.082638 0.032 Uiso calc U . R 1 . .
C C5 0.42735(16) 0.53884(5) 0.21639(13) 0.0215(3) Uani d . . . 1 . .
C C6 0.29911(16) 0.58751(5) 0.48900(12) 0.0204(3) Uani d . . . 1 . .
H H20 0.335346 0.550262 0.506893 0.024 Uiso calc U . R 1 . .
C C7 0.12080(17) 0.58512(5) 0.42509(14) 0.0239(3) Uani d . . . 1 . .
H H19 0.117538 0.55715 0.35917 0.029 Uiso calc U . R 1 . .
C C8 0.05457(18) 0.63706(6) 0.35887(14) 0.0263(3) Uani d . . . 1 . .
H H18 0.129977 0.647349 0.297169 0.032 Uiso calc U . R 1 . .
H H12 -0.054488 0.629645 0.312066 0.032 Uiso calc U . R 1 . .
C C9 0.03717(17) 0.68331(5) 0.44527(13) 0.0248(3) Uani d . . . 1 . .
C C10 0.16625(17) 0.72088(5) 0.47380(13) 0.0222(3) Uani d . . . 1 . .
C C11 0.14990(18) 0.76059(5) 0.56574(13) 0.0239(3) Uani d . . . 1 . .
C C12 0.28205(19) 0.79604(6) 0.59492(14) 0.0281(3) Uani d . . . 1 . .
H H15 0.275642 0.822481 0.656893 0.034 Uiso calc U . R 1 . .
C C13 0.4192(2) 0.79217(6) 0.53369(15) 0.0308(3) Uani d . . . 1 . .
H H2 0.509156 0.815768 0.552046 0.037 Uiso calc U . R 1 . .
C C14 0.29222(18) 0.45847(6) 0.14566(14) 0.0281(3) Uani d . . . 1 . .
H H5 0.260906 0.423153 0.161427 0.034 Uiso calc U . R 1 . .
C C15 0.38089(18) 0.48711(6) 0.24048(14) 0.0256(3) Uani d . . . 1 . .
H H23 0.409555 0.471755 0.320603 0.031 Uiso calc U . R 1 . .
C C16 0.00886(18) 0.56715(6) 0.51899(17) 0.0322(4) Uani d . . . 1 . .
H H6 -0.085333 0.546411 0.491607 0.039 Uiso calc U . R 1 . .
C C17 0.0393(2) 0.57973(6) 0.63907(17) 0.0351(4) Uani d . . . 1 . .
H H7 -0.034267 0.56791 0.695591 0.042 Uiso calc U . R 1 . .
C C18 0.1827(2) 0.61124(6) 0.68699(14) 0.0296(3) Uani d . . . 1 . .
C C19 0.31327(18) 0.61647(5) 0.61367(13) 0.0227(3) Uani d . . . 1 . .
C C20 0.4511(2) 0.64599(6) 0.65821(14) 0.0299(3) Uani d . . . 1 . .
H H8 0.5411 0.648634 0.609816 0.036 Uiso calc U . R 1 . .
C C21 0.4584(2) 0.67170(7) 0.77297(16) 0.0420(4) Uani d . . . 1 . .
H H9 0.553007 0.691819 0.80265 0.05 Uiso calc U . R 1 . .
C C22 0.3281(3) 0.66799(7) 0.84367(16) 0.0493(5) Uani d . . . 1 . .
H H10 0.331818 0.686222 0.921151 0.059 Uiso calc U . R 1 . .
C C23 0.1921(3) 0.63763(7) 0.80152(16) 0.0434(4) Uani d . . . 1 . .
H H11 0.103626 0.634706 0.851382 0.052 Uiso calc U . R 1 . .
C C24 -0.10408(18) 0.68859(6) 0.50355(15) 0.0299(3) Uani d . . . 1 . .
H H13 -0.192971 0.664857 0.48222 0.036 Uiso calc U . R 1 . .
C C25 -0.12061(19) 0.72808(6) 0.59372(16) 0.0316(3) Uani d . . . 1 . .
H H17 -0.219171 0.730316 0.632627 0.038 Uiso calc U . R 1 . .
C C26 0.00434(19) 0.76315(6) 0.62546(14) 0.0283(3) Uani d . . . 1 . .
H H14 -0.00647 0.789233 0.687545 0.034 Uiso calc U . R 1 . .
C C27 0.42403(19) 0.75237(6) 0.44271(14) 0.0278(3) Uani d . . . 1 . .
H H16 0.519594 0.750129 0.40017 0.033 Uiso calc U . R 1 . .
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'
S S 0.3331 0.5567 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 S1 O2 . . 120.02(6) ?
O1 S1 N1 . . 108.33(6) ?
O2 S1 N1 . . 104.83(6) ?
O1 S1 C5 . . 106.59(6) ?
O2 S1 C5 . . 107.61(6) ?
N1 S1 C5 . . 109.14(6) ?
C6 N1 S1 . . 124.10(9) ?
C6 N1 H1A . . 117.9 ?
S1 N1 H1A . . 117.9 ?
C27 N2 C10 . . 118.20(12) ?
C2 C1 H1 . . 109.5 ?
C2 C1 H3 . . 109.5 ?
H1 C1 H3 . . 109.5 ?
C2 C1 H4 . . 109.5 ?
H1 C1 H4 . . 109.5 ?
H3 C1 H4 . . 109.5 ?
C14 C2 C3 . . 118.42(14) ?
C14 C2 C1 . . 121.07(14) ?
C3 C2 C1 . . 120.51(15) ?
C4 C3 C2 . . 121.18(14) ?
C4 C3 H22 . . 119.4 ?
C2 C3 H22 . . 119.4 ?
C3 C4 C5 . . 119.27(13) ?
C3 C4 H21 . . 120.4 ?
C5 C4 H21 . . 120.4 ?
C4 C5 C15 . . 120.70(13) ?
C4 C5 S1 . . 119.75(11) ?
C15 C5 S1 . . 119.55(11) ?
N1 C6 C19 . . 110.77(11) ?
N1 C6 C7 . . 111.86(11) ?
C19 C6 C7 . . 112.71(11) ?
N1 C6 H20 . . 107.0 ?
C19 C6 H20 . . 107.0 ?
C7 C6 H20 . . 107.0 ?
C16 C7 C6 . . 109.12(12) ?
C16 C7 C8 . . 110.76(12) ?
C6 C7 C8 . . 115.57(11) ?
C16 C7 H19 . . 107.0 ?
C6 C7 H19 . . 107.0 ?
C8 C7 H19 . . 107.0 ?
C9 C8 C7 . . 115.03(12) ?
C9 C8 H18 . . 108.5 ?
C7 C8 H18 . . 108.5 ?
C9 C8 H12 . . 108.5 ?
C7 C8 H12 . . 108.5 ?
H18 C8 H12 . . 107.5 ?
C24 C9 C10 . . 118.22(13) ?
C24 C9 C8 . . 119.73(13) ?
C10 C9 C8 . . 121.98(13) ?
N2 C10 C11 . . 121.11(13) ?
N2 C10 C9 . . 119.33(12) ?
C11 C10 C9 . . 119.56(13) ?
C12 C11 C26 . . 122.03(13) ?
C12 C11 C10 . . 118.20(13) ?
C26 C11 C10 . . 119.76(13) ?
C13 C12 C11 . . 119.70(13) ?
C13 C12 H15 . . 120.1 ?
C11 C12 H15 . . 120.2 ?
C12 C13 C27 . . 118.41(14) ?
C12 C13 H2 . . 120.8 ?
C27 C13 H2 . . 120.8 ?
C15 C14 C2 . . 121.45(14) ?
C15 C14 H5 . . 119.3 ?
C2 C14 H5 . . 119.3 ?
C14 C15 C5 . . 118.95(14) ?
C14 C15 H23 . . 120.5 ?
C5 C15 H23 . . 120.5 ?
C17 C16 C7 . . 121.29(14) ?
C17 C16 H6 . . 119.4 ?
C7 C16 H6 . . 119.4 ?
C16 C17 C18 . . 121.91(14) ?
C16 C17 H7 . . 119.0 ?
C18 C17 H7 . . 119.0 ?
C23 C18 C19 . . 118.81(16) ?
C23 C18 C17 . . 122.28(15) ?
C19 C18 C17 . . 118.89(14) ?
C20 C19 C18 . . 119.64(14) ?
C20 C19 C6 . . 122.71(13) ?
C18 C19 C6 . . 117.61(13) ?
C19 C20 C21 . . 120.58(16) ?
C19 C20 H8 . . 119.7 ?
C21 C20 H8 . . 119.7 ?
C22 C21 C20 . . 119.98(17) ?
C22 C21 H9 . . 120.0 ?
C20 C21 H9 . . 120.0 ?
C21 C22 C23 . . 119.86(16) ?
C21 C22 H10 . . 120.1 ?
C23 C22 H10 . . 120.1 ?
C22 C23 C18 . . 121.09(17) ?
C22 C23 H11 . . 119.5 ?
C18 C23 H11 . . 119.5 ?
C9 C24 C25 . . 122.09(14) ?
C9 C24 H13 . . 119.0 ?
C25 C24 H13 . . 119.0 ?
C26 C25 C24 . . 120.35(14) ?
C26 C25 H17 . . 119.8 ?
C24 C25 H17 . . 119.8 ?
C25 C26 C11 . . 119.92(14) ?
C25 C26 H14 . . 120.0 ?
C11 C26 H14 . . 120.0 ?
N2 C27 C13 . . 124.36(14) ?
N2 C27 H16 . . 117.8 ?
C13 C27 H16 . . 117.8 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
S1 O1 . 1.4359(10) ?
S1 O2 . 1.4391(10) ?
S1 N1 . 1.5991(11) ?
S1 C5 . 1.7663(14) ?
N1 C6 . 1.4581(16) ?
N1 H1A . 0.88 ?
N2 C27 . 1.3186(19) ?
N2 C10 . 1.3736(18) ?
C1 C2 . 1.509(2) ?
C1 H1 . 0.98 ?
C1 H3 . 0.98 ?
C1 H4 . 0.98 ?
C2 C14 . 1.392(2) ?
C2 C3 . 1.395(2) ?
C3 C4 . 1.387(2) ?
C3 H22 . 0.95 ?
C4 C5 . 1.389(2) ?
C4 H21 . 0.95 ?
C5 C15 . 1.3952(19) ?
C6 C19 . 1.5209(19) ?
C6 C7 . 1.5393(19) ?
C6 H20 . 1.0 ?
C7 C16 . 1.507(2) ?
C7 C8 . 1.5618(19) ?
C7 H19 . 1.0 ?
C8 C9 . 1.5111(19) ?
C8 H18 . 0.99 ?
C8 H12 . 0.99 ?
C9 C24 . 1.380(2) ?
C9 C10 . 1.427(2) ?
C10 C11 . 1.4265(19) ?
C11 C12 . 1.411(2) ?
C11 C26 . 1.415(2) ?
C12 C13 . 1.366(2) ?
C12 H15 . 0.95 ?
C13 C27 . 1.408(2) ?
C13 H2 . 0.95 ?
C14 C15 . 1.386(2) ?
C14 H5 . 0.95 ?
C15 H23 . 0.95 ?
C16 C17 . 1.326(3) ?
C16 H6 . 0.95 ?
C17 C18 . 1.461(2) ?
C17 H7 . 0.95 ?
C18 C23 . 1.396(2) ?
C18 C19 . 1.403(2) ?
C19 C20 . 1.390(2) ?
C20 C21 . 1.391(2) ?
C20 H8 . 0.95 ?
C21 C22 . 1.379(3) ?
C21 H9 . 0.95 ?
C22 C23 . 1.384(3) ?
C22 H10 . 0.95 ?
C23 H11 . 0.95 ?
C24 C25 . 1.409(2) ?
C24 H13 . 0.95 ?
C25 C26 . 1.366(2) ?
C25 H17 . 0.95 ?
C26 H14 . 0.95 ?
C27 H16 . 0.95 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N1 H1A N2 . 0.88 2.06 2.8681(16) 151.9 ?
C6 H20 O1 3_666 1.00 2.39 3.3789(16) 169.1 ?
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O1 S1 N1 C6 . . . . -44.67(12) ?
O2 S1 N1 C6 . . . . -173.94(11) ?
C5 S1 N1 C6 . . . . 71.02(12) ?
C14 C2 C3 C4 . . . . -1.7(2) ?
C1 C2 C3 C4 . . . . 178.66(13) ?
C2 C3 C4 C5 . . . . 0.5(2) ?
C3 C4 C5 C15 . . . . 0.9(2) ?
C3 C4 C5 S1 . . . . -179.22(11) ?
O1 S1 C5 C4 . . . . -156.54(11) ?
O2 S1 C5 C4 . . . . -26.57(13) ?
N1 S1 C5 C4 . . . . 86.66(12) ?
O1 S1 C5 C15 . . . . 23.36(12) ?
O2 S1 C5 C15 . . . . 153.33(11) ?
N1 S1 C5 C15 . . . . -93.44(12) ?
S1 N1 C6 C19 . . . . 129.04(11) ?
S1 N1 C6 C7 . . . . -104.30(12) ?
N1 C6 C7 C16 . . . . -173.82(11) ?
C19 C6 C7 C16 . . . . -48.23(15) ?
N1 C6 C7 C8 . . . . -48.25(16) ?
C19 C6 C7 C8 . . . . 77.35(15) ?
C16 C7 C8 C9 . . . . 59.12(16) ?
C6 C7 C8 C9 . . . . -65.61(16) ?
C7 C8 C9 C24 . . . . -84.78(16) ?
C7 C8 C9 C10 . . . . 92.18(16) ?
C27 N2 C10 C11 . . . . 1.22(19) ?
C27 N2 C10 C9 . . . . -178.42(13) ?
C24 C9 C10 N2 . . . . -176.92(13) ?
C8 C9 C10 N2 . . . . 6.1(2) ?
C24 C9 C10 C11 . . . . 3.4(2) ?
C8 C9 C10 C11 . . . . -173.57(12) ?
N2 C10 C11 C12 . . . . -1.8(2) ?
C9 C10 C11 C12 . . . . 177.88(13) ?
N2 C10 C11 C26 . . . . 178.81(13) ?
C9 C10 C11 C26 . . . . -1.6(2) ?
C26 C11 C12 C13 . . . . -179.39(14) ?
C10 C11 C12 C13 . . . . 1.2(2) ?
C11 C12 C13 C27 . . . . -0.2(2) ?
C3 C2 C14 C15 . . . . 1.7(2) ?
C1 C2 C14 C15 . . . . -178.69(13) ?
C2 C14 C15 C5 . . . . -0.4(2) ?
C4 C5 C15 C14 . . . . -0.9(2) ?
S1 C5 C15 C14 . . . . 179.19(11) ?
C6 C7 C16 C17 . . . . 32.92(19) ?
C8 C7 C16 C17 . . . . -95.39(17) ?
C7 C16 C17 C18 . . . . -0.4(2) ?
C16 C17 C18 C23 . . . . 160.79(15) ?
C16 C17 C18 C19 . . . . -17.2(2) ?
C23 C18 C19 C20 . . . . 2.3(2) ?
C17 C18 C19 C20 . . . . -179.55(13) ?
C23 C18 C19 C6 . . . . -179.66(13) ?
C17 C18 C19 C6 . . . . -1.56(19) ?
N1 C6 C19 C20 . . . . -21.28(18) ?
C7 C6 C19 C20 . . . . -147.47(13) ?
N1 C6 C19 C18 . . . . 160.79(12) ?
C7 C6 C19 C18 . . . . 34.61(17) ?
C18 C19 C20 C21 . . . . -2.0(2) ?
C6 C19 C20 C21 . . . . -179.88(13) ?
C19 C20 C21 C22 . . . . 0.1(2) ?
C20 C21 C22 C23 . . . . 1.5(3) ?
C21 C22 C23 C18 . . . . -1.1(3) ?
C19 C18 C23 C22 . . . . -0.8(2) ?
C17 C18 C23 C22 . . . . -178.84(15) ?
C10 C9 C24 C25 . . . . -3.1(2) ?
C8 C9 C24 C25 . . . . 174.03(14) ?
C9 C24 C25 C26 . . . . 0.7(2) ?
C24 C25 C26 C11 . . . . 1.3(2) ?
C12 C11 C26 C25 . . . . 179.75(14) ?
C10 C11 C26 C25 . . . . -0.8(2) ?
C10 N2 C27 C13 . . . . -0.1(2) ?
C12 C13 C27 N2 . . . . -0.4(2) ?
