# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_exp_105
_audit_block_doi                 10.5517/ccdc.csd.cc2bxyrz
_database_code_depnum_ccdc_archive 'CCDC 2172782'
loop_
_audit_author_name
_audit_author_address
'Fuxue Wang'
;peking university
China
;
_audit_update_record             
;
2022-05-15 deposited with the CCDC.	2022-07-18 downloaded from the CCDC.
;
_audit_creation_date             2022-02-07
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2016.11.30 svn.r3356 for OlexSys, GUI svn.r5269)
;
_chemical_name_common            ?
_chemical_name_systematic        BUC-92
_chemical_formula_moiety         'C19 H20 Co N2 O7'
_chemical_formula_sum            'C19 H20 Co N2 O7'
_chemical_formula_weight         447.30
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Co Cl O N C H'
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'
Co Co 0.3494 0.9721 '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'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   10.0404(8)
_cell_length_b                   9.9260(7)
_cell_length_c                   38.902(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3877.0(5)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    3646
_cell_measurement_temperature    293(1)
_cell_measurement_theta_max      25.2110
_cell_measurement_theta_min      2.3430
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.930
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.57943
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            PINK
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.533
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       'micro-sized sheet'
_exptl_crystal_F_000             1848
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0649
_diffrn_reflns_av_unetI/netI     0.0813
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.929
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       53
_diffrn_reflns_limit_l_min       -55
_diffrn_reflns_number            20555
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.929
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.563
_diffrn_reflns_theta_min         2.094
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.9867
_diffrn_measured_fraction_theta_max 0.9290
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -74.00  -7.00   0.50    2.29    --   20.00  54.00 -60.00  134
  2  ω     -2.00  41.00   0.50    2.29    --   20.00  54.00 -60.00   86
  3  ω     46.00  71.00   0.50    2.29    --   20.00  54.00 -60.00   50
  4  ω    -36.00 -11.00   0.50    2.29    --   20.00  54.00-180.00   50
  5  ω     25.00  73.00   0.50    2.29    --   20.00  54.00-180.00   96
  6  ω    -41.00  19.00   0.50    2.29    --   20.00  54.00-120.00  120
  7  ω     48.00  73.00   0.50    2.29    --   20.00  54.00-120.00   50
  8  ω    -72.00 -34.50   0.50    2.29    --   20.00  54.00  90.00   75
;
_diffrn_measurement_device       'two-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Mini II'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0474781000
_diffrn_orient_matrix_UB_12      -0.0470763000
_diffrn_orient_matrix_UB_13      0.0061888000
_diffrn_orient_matrix_UB_21      -0.0027868000
_diffrn_orient_matrix_UB_22      -0.0350302000
_diffrn_orient_matrix_UB_23      -0.0158678000
_diffrn_orient_matrix_UB_31      0.0522659000
_diffrn_orient_matrix_UB_32      0.0408616000
_diffrn_orient_matrix_UB_33      -0.0064634000
_diffrn_oxdiff_digest_frames     
;
01189e55f163d475193287a936cef8019d0002640d0
;
_diffrn_oxdiff_digest_hkl        
;
01d2d3425bf2028bbbd48e1268ebcde74f6948
;
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_diffrn_special_details          293(1)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3288
_reflns_number_total             5528
_reflns_odcompleteness_completeness 98.67
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.830
_refine_diff_density_min         -0.786
_refine_diff_density_rms         0.106
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         5528
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1231
_refine_ls_R_factor_gt           0.0736
_refine_ls_restrained_S_all      1.044
_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)+(0.0715P)²+8.8733P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1745
_refine_ls_wR_factor_ref         0.1949
_refine_special_details          ?
_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 O(H,H) groups
2.a Rotating group:
 O1W(H1WA,H1WB), O2W(H2WA,H2WB)
2.b Ternary CH refined with riding coordinates:
 C2(H2), C3(H3)
2.c Secondary CH2 refined with riding coordinates:
 C6(H6A,H6B), C13(H13A,H13B)
2.d Aromatic/amide H refined with riding coordinates:
 C8(H8), C9(H9), C10(H10), C11(H11), C12(H12), C15(H15), C16(H16), C17(H17),
 C18(H18), C19(H19)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Co1 Co 0.85599(6) 1.03293(5) 0.44677(2) 0.02999(17) Uani 1 1 d . . . . .
O1 O 0.7218(3) 0.9312(3) 0.41707(8) 0.0317(7) Uani 1 1 d . . . . .
O1W O 0.9425(3) 0.8514(3) 0.46157(8) 0.0378(7) Uani 1 1 d . . . . .
H1WA H 0.8900 0.7842 0.4571 0.057 Uiso 1 1 d GR . . . .
H1WB H 0.9584 0.8517 0.4835 0.057 Uiso 1 1 d GR . . . .
O2 O 0.7364(3) 0.7143(3) 0.43160(8) 0.0384(8) Uani 1 1 d . . . . .
O2W O 0.7198(6) 1.0184(4) 0.48815(12) 0.0945(19) Uani 1 1 d . . . . .
H2WA H 0.7610 1.0238 0.5089 0.142 Uiso 1 1 d GR . . . .
H2WB H 0.6709 1.1048 0.4880 0.142 Uiso 1 1 d GR . . . .
O3 O 0.3782(5) 0.8324(4) 0.46057(10) 0.0730(14) Uani 1 1 d . . . . .
O4 O 0.5039(4) 0.6522(3) 0.47073(8) 0.0455(9) Uani 1 1 d . . . . .
O5 O 0.5692(3) 0.4557(3) 0.35710(8) 0.0374(7) Uani 1 1 d . . . . .
N007 N 0.4808(3) 0.5637(3) 0.40542(9) 0.0256(7) Uani 1 1 d . . . . .
N008 N 0.5957(4) 0.6841(3) 0.36652(8) 0.0269(7) Uani 1 1 d . . . . .
C1 C 0.6844(4) 0.8112(4) 0.41583(10) 0.0247(8) Uani 1 1 d . . . . .
C2 C 0.5630(4) 0.7817(4) 0.39319(10) 0.0246(8) Uani 1 1 d . . . . .
H2 H 0.5291 0.8651 0.3829 0.030 Uiso 1 1 calc R . . . .
C3 C 0.4499(4) 0.7068(3) 0.41246(10) 0.0244(8) Uani 1 1 d . . . . .
H3 H 0.3642 0.7298 0.4019 0.029 Uiso 1 1 calc R . . . .
C4 C 0.4433(5) 0.7344(4) 0.45098(11) 0.0341(10) Uani 1 1 d . . . . .
C5 C 0.5515(4) 0.5580(4) 0.37368(10) 0.0254(8) Uani 1 1 d . . . . .
C6 C 0.6999(4) 0.7081(5) 0.34127(11) 0.0340(10) Uani 1 1 d . . . . .
H6A H 0.7472 0.6243 0.3373 0.041 Uiso 1 1 calc R . . . .
H6B H 0.7630 0.7720 0.3508 0.041 Uiso 1 1 calc R . . . .
C7 C 0.6507(4) 0.7610(4) 0.30728(11) 0.0331(9) Uani 1 1 d . . . . .
C8 C 0.7153(5) 0.8669(5) 0.29139(13) 0.0484(13) Uani 1 1 d . . . . .
H8 H 0.7868 0.9082 0.3023 0.058 Uiso 1 1 calc R . . . .
C9 C 0.6751(7) 0.9122(7) 0.25953(15) 0.0668(18) Uani 1 1 d . . . . .
H9 H 0.7183 0.9848 0.2493 0.080 Uiso 1 1 calc R . . . .
C10 C 0.5725(8) 0.8508(7) 0.24302(16) 0.079(2) Uani 1 1 d . . . . .
H10 H 0.5472 0.8803 0.2213 0.094 Uiso 1 1 calc R . . . .
C11 C 0.5052(8) 0.7445(7) 0.25831(16) 0.076(2) Uani 1 1 d . . . . .
H11 H 0.4345 0.7031 0.2470 0.092 Uiso 1 1 calc R . . . .
C12 C 0.5442(6) 0.7009(6) 0.29038(14) 0.0560(15) Uani 1 1 d . . . . .
H12 H 0.4987 0.6304 0.3009 0.067 Uiso 1 1 calc R . . . .
C13 C 0.3645(4) 0.4695(4) 0.40817(12) 0.0318(9) Uani 1 1 d . . . . .
H13A H 0.3316 0.4707 0.4316 0.038 Uiso 1 1 calc R . . . .
H13B H 0.3943 0.3786 0.4032 0.038 Uiso 1 1 calc R . . . .
C14 C 0.2518(4) 0.5049(4) 0.38413(12) 0.0312(9) Uani 1 1 d . . . . .
C15 C 0.2511(5) 0.4602(6) 0.35062(14) 0.0528(14) Uani 1 1 d . . . . .
H15 H 0.3180 0.4032 0.3428 0.063 Uiso 1 1 calc R . . . .
C16 C 0.1491(6) 0.5011(8) 0.32846(16) 0.0683(19) Uani 1 1 d . . . . .
H16 H 0.1485 0.4713 0.3058 0.082 Uiso 1 1 calc R . . . .
C17 C 0.0499(6) 0.5847(7) 0.33991(17) 0.0633(17) Uani 1 1 d . . . . .
H17 H -0.0155 0.6141 0.3247 0.076 Uiso 1 1 calc R . . . .
C18 C 0.0463(5) 0.6249(5) 0.37314(16) 0.0518(14) Uani 1 1 d . . . . .
H18 H -0.0232 0.6785 0.3811 0.062 Uiso 1 1 calc R . . . .
C19 C 0.1463(4) 0.5856(4) 0.39513(14) 0.0405(11) Uani 1 1 d . . . . .
H19 H 0.1436 0.6137 0.4179 0.049 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Co1 O1 2.042(3) . ?
Co1 O1W 2.081(3) . ?
Co1 O2 2.110(3) 8_765 ?
Co1 O2W 2.117(4) . ?
Co1 O4 2.061(3) 8_765 ?
Co1 N007 2.317(3) 8_765 ?
O1 C1 1.250(4) . ?
O1W H1WA 0.8682 . ?
O1W H1WB 0.8672 . ?
O2 Co1 2.110(3) 8_755 ?
O2 C1 1.255(5) . ?
O2W H2WA 0.9091 . ?
O2W H2WB 0.9879 . ?
O3 C4 1.230(5) . ?
O4 Co1 2.061(3) 8_755 ?
O4 C4 1.275(5) . ?
O5 C5 1.216(4) . ?
N007 Co1 2.316(3) 8_755 ?
N007 C3 1.480(4) . ?
N007 C5 1.426(5) . ?
N007 C13 1.500(5) . ?
N008 C2 1.457(5) . ?
N008 C5 1.357(5) . ?
N008 C6 1.454(5) . ?
C1 C2 1.532(5) . ?
C2 H2 0.9800 . ?
C2 C3 1.550(5) . ?
C3 H3 0.9800 . ?
C3 C4 1.525(5) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 C7 1.506(6) . ?
C7 C8 1.380(6) . ?
C7 C12 1.390(7) . ?
C8 H8 0.9300 . ?
C8 C9 1.379(8) . ?
C9 H9 0.9300 . ?
C9 C10 1.358(9) . ?
C10 H10 0.9300 . ?
C10 C11 1.387(9) . ?
C11 H11 0.9300 . ?
C11 C12 1.377(7) . ?
C12 H12 0.9300 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C14 1.510(6) . ?
C14 C15 1.377(7) . ?
C14 C19 1.395(6) . ?
C15 H15 0.9300 . ?
C15 C16 1.399(8) . ?
C16 H16 0.9300 . ?
C16 C17 1.371(9) . ?
C17 H17 0.9300 . ?
C17 C18 1.353(8) . ?
C18 H18 0.9300 . ?
C18 C19 1.376(7) . ?
C19 H19 0.9300 . ?

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
O1 Co1 O1W 90.22(12) . . ?
O1 Co1 O2 88.49(12) . 8_765 ?
O1 Co1 O2W 88.31(18) . . ?
O1 Co1 O4 171.92(12) . 8_765 ?
O1 Co1 N007 97.99(12) . 8_765 ?
O1W Co1 O2 178.53(13) . 8_765 ?
O1W Co1 O2W 90.02(18) . . ?
O1W Co1 N007 90.63(12) . 8_765 ?
O2 Co1 O2W 89.24(18) 8_765 . ?
O2 Co1 N007 90.25(11) 8_765 8_765 ?
O2W Co1 N007 173.67(17) . 8_765 ?
O4 Co1 O1W 95.02(13) 8_765 . ?
O4 Co1 O2 86.34(13) 8_765 8_765 ?
O4 Co1 O2W 97.81(18) 8_765 . ?
O4 Co1 N007 75.86(13) 8_765 8_765 ?
C1 O1 Co1 133.7(3) . . ?
Co1 O1W H1WA 110.9 . . ?
Co1 O1W H1WB 110.2 . . ?
H1WA O1W H1WB 108.2 . . ?
C1 O2 Co1 127.4(3) . 8_755 ?
Co1 O2W H2WA 112.2 . . ?
Co1 O2W H2WB 105.0 . . ?
H2WA O2W H2WB 100.3 . . ?
C4 O4 Co1 114.9(3) . 8_755 ?
C3 N007 Co1 98.4(2) . 8_755 ?
C3 N007 C13 115.0(3) . . ?
C5 N007 Co1 104.1(2) . 8_755 ?
C5 N007 C3 107.6(3) . . ?
C5 N007 C13 115.1(3) . . ?
C13 N007 Co1 114.8(2) . 8_755 ?
C5 N008 C2 113.2(3) . . ?
C5 N008 C6 121.7(3) . . ?
C6 N008 C2 122.3(3) . . ?
O1 C1 O2 125.9(4) . . ?
O1 C1 C2 116.3(3) . . ?
O2 C1 C2 117.8(3) . . ?
N008 C2 C1 110.9(3) . . ?
N008 C2 H2 110.4 . . ?
N008 C2 C3 101.0(3) . . ?
C1 C2 H2 110.4 . . ?
C1 C2 C3 113.3(3) . . ?
C3 C2 H2 110.4 . . ?
N007 C3 C2 102.6(3) . . ?
N007 C3 H3 109.3 . . ?
N007 C3 C4 111.3(3) . . ?
C2 C3 H3 109.3 . . ?
C4 C3 C2 114.9(3) . . ?
C4 C3 H3 109.3 . . ?
O3 C4 O4 125.2(4) . . ?
O3 C4 C3 117.6(4) . . ?
O4 C4 C3 117.1(3) . . ?
O5 C5 N007 124.4(4) . . ?
O5 C5 N008 127.8(4) . . ?
N008 C5 N007 107.7(3) . . ?
N008 C6 H6A 108.6 . . ?
N008 C6 H6B 108.6 . . ?
N008 C6 C7 114.5(4) . . ?
H6A C6 H6B 107.6 . . ?
C7 C6 H6A 108.6 . . ?
C7 C6 H6B 108.6 . . ?
C8 C7 C6 120.3(4) . . ?
C8 C7 C12 118.4(5) . . ?
C12 C7 C6 121.2(4) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 C7 120.9(5) . . ?
C9 C8 H8 119.6 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.0(6) . . ?
C10 C9 H9 120.0 . . ?
C9 C10 H10 119.7 . . ?
C9 C10 C11 120.5(6) . . ?
C11 C10 H10 119.7 . . ?
C10 C11 H11 120.4 . . ?
C12 C11 C10 119.2(6) . . ?
C12 C11 H11 120.4 . . ?
C7 C12 H12 119.6 . . ?
C11 C12 C7 120.8(6) . . ?
C11 C12 H12 119.6 . . ?
N007 C13 H13A 108.9 . . ?
N007 C13 H13B 108.9 . . ?
N007 C13 C14 113.2(3) . . ?
H13A C13 H13B 107.7 . . ?
C14 C13 H13A 108.9 . . ?
C14 C13 H13B 108.9 . . ?
C15 C14 C13 121.0(4) . . ?
C15 C14 C19 118.2(4) . . ?
C19 C14 C13 120.8(4) . . ?
C14 C15 H15 120.2 . . ?
C14 C15 C16 119.6(5) . . ?
C16 C15 H15 120.2 . . ?
C15 C16 H16 119.7 . . ?
C17 C16 C15 120.5(6) . . ?
C17 C16 H16 119.7 . . ?
C16 C17 H17 119.7 . . ?
C18 C17 C16 120.5(6) . . ?
C18 C17 H17 119.7 . . ?
C17 C18 H18 120.3 . . ?
C17 C18 C19 119.4(5) . . ?
C19 C18 H18 120.3 . . ?
C14 C19 H19 119.1 . . ?
C18 C19 C14 121.7(5) . . ?
C18 C19 H19 119.1 . . ?

_shelx_SHELXL_version_number     2014/7

_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 1.433
_oxdiff_exptl_absorpt_empirical_full_min 0.695
