# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2021

####################################################################### 
# 
# 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. 
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data_exp_10046
_database_code_depnum_ccdc_archive 'CCDC 2112014'
loop_
_audit_author_name
_audit_author_address
haichaohuang
;huaqiaouniversity,quanzhou  
China
;
_audit_update_record             
;
2021-09-26 deposited with the CCDC.	2021-11-26 downloaded from the CCDC.
;
_audit_creation_date             2021-09-09
_audit_creation_method           
;
Olex2 1.5-alpha
(compiled 2021.06.29 svn.r12e2184c for OlexSys, GUI svn.r6374)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C18 H15 N O2'
_chemical_formula_sum            'C18 H15 N O2'
_chemical_formula_weight         277.31
_chemical_melting_point          ?
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'

_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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   8.3362(8)
_cell_length_b                   12.0976(8)
_cell_length_c                   14.4307(11)
_cell_angle_alpha                90
_cell_angle_beta                 92.893(8)
_cell_angle_gamma                90
_cell_volume                     1453.5(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1497
_cell_measurement_temperature    296.01(10)
_cell_measurement_theta_max      22.5100
_cell_measurement_theta_min      4.1430
_shelx_estimated_absorpt_T_max   0.982
_shelx_estimated_absorpt_T_min   0.976
_exptl_absorpt_coefficient_mu    0.083
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.92380
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'light yellow'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.267
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             584
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0322
_diffrn_reflns_av_unetI/netI     0.0615
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.865
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            6737
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.865
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.077
_diffrn_reflns_theta_min         3.645
_diffrn_ambient_temperature      296.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0606
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.865
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -13.00  77.00   1.00   10.00    --   15.49  19.00-180.00   90
  2  ω    -55.00  39.00   1.00   10.00    --   15.49 -19.00 -30.00   94
  3  ω    -25.00   3.00   1.00   10.00    --  -16.28 -99.00 150.00   28
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0459449000
_diffrn_orient_matrix_UB_12      -0.0421888000
_diffrn_orient_matrix_UB_13      0.0201467000
_diffrn_orient_matrix_UB_21      0.0623363000
_diffrn_orient_matrix_UB_22      -0.0083487000
_diffrn_orient_matrix_UB_23      0.0346174000
_diffrn_orient_matrix_UB_31      -0.0355964000
_diffrn_orient_matrix_UB_32      0.0398127000
_diffrn_orient_matrix_UB_33      0.0286042000
_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              'Enhance (Mo) X-ray Source'
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1884
_reflns_number_total             3369
_reflns_odcompleteness_completeness 99.58
_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 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.147
_refine_diff_density_min         -0.169
_refine_diff_density_rms         0.032
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     193
_refine_ls_number_reflns         3369
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1297
_refine_ls_R_factor_gt           0.0679
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0533P)²+0.1405P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1256
_refine_ls_wR_factor_ref         0.1542
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Shared sites
{N1, C7B}
{N1B, C7}
3. Uiso/Uaniso restraints and constraints
Uanis(N1) = Uanis(C7B)
Uanis(N1B) = Uanis(C7)
4. Others
 Sof(C7B)=Sof(N1B)=1-FVAR(1)
 Sof(N1)=Sof(C7)=FVAR(1)
5.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C14(H14), C15(H15), C16(H16), C17(H17),
 C18(H18)
5.b Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C12(H12A,H12B,H12C)
;
_atom_sites_solution_hydrogens   geom
_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
O1 O 0.1787(3) 0.43813(14) 0.61928(12) 0.1022(8) Uani 1 1 d . . . . .
O2 O 0.2094(3) 0.46307(16) 0.15702(12) 0.0892(6) Uani 1 1 d . . . . .
N1 N 0.2557(2) 0.48210(14) 0.31324(11) 0.0482(6) Uani 0.740(16) 1 d . . P A 1
C1 C 0.2125(2) 0.37220(16) 0.33684(14) 0.0464(5) Uani 1 1 d . . . . .
C2 C 0.1987(2) 0.36874(15) 0.43292(14) 0.0444(5) Uani 1 1 d . . . . .
C3 C 0.1598(3) 0.26948(17) 0.47509(16) 0.0559(6) Uani 1 1 d . . . . .
H3 H 0.151106 0.265682 0.539004 0.067 Uiso 1 1 calc R U . . .
C4 C 0.1346(3) 0.17744(18) 0.42096(18) 0.0648(7) Uani 1 1 d . . . . .
H4 H 0.105087 0.111402 0.448348 0.078 Uiso 1 1 calc R U . . .
C5 C 0.1523(3) 0.18120(18) 0.32658(18) 0.0674(7) Uani 1 1 d . . . . .
H5 H 0.137362 0.116993 0.291763 0.081 Uiso 1 1 calc R U . . .
C6 C 0.1913(3) 0.27729(18) 0.28288(16) 0.0617(6) Uani 1 1 d . . . . .
H6 H 0.203274 0.279153 0.219172 0.074 Uiso 1 1 calc R U . . .
C7 C 0.2327(2) 0.47849(15) 0.46811(13) 0.0465(6) Uani 0.740(16) 1 d . . P A 1
C8 C 0.2670(2) 0.54468(16) 0.39411(14) 0.0455(5) Uani 1 1 d . . . . .
C9 C 0.2218(3) 0.50711(18) 0.56588(16) 0.0581(6) Uani 1 1 d . . . . .
C10 C 0.2622(4) 0.61997(19) 0.60204(17) 0.0859(9) Uani 1 1 d . . . . .
H10A H 0.374225 0.634402 0.595091 0.129 Uiso 1 1 calc R U . . .
H10B H 0.239382 0.624079 0.666488 0.129 Uiso 1 1 calc R U . . .
H10C H 0.199090 0.673943 0.567775 0.129 Uiso 1 1 calc R U . . .
C11 C 0.2735(3) 0.51632(19) 0.21869(17) 0.0635(7) Uani 1 1 d . . . . .
C12 C 0.3803(4) 0.6120(2) 0.2006(2) 0.1015(11) Uani 1 1 d . . . . .
H12A H 0.327451 0.679499 0.216275 0.152 Uiso 1 1 calc R U . . .
H12B H 0.403625 0.613260 0.136115 0.152 Uiso 1 1 calc R U . . .
H12C H 0.478642 0.604973 0.237701 0.152 Uiso 1 1 calc R U . . .
C13 C 0.2929(3) 0.66586(16) 0.39470(14) 0.0462(5) Uani 1 1 d . . . . .
C14 C 0.4406(3) 0.71233(19) 0.41900(18) 0.0680(7) Uani 1 1 d . . . . .
H14 H 0.528056 0.666822 0.433785 0.082 Uiso 1 1 calc R U . . .
C15 C 0.4593(3) 0.8257(2) 0.42152(18) 0.0749(8) Uani 1 1 d . . . . .
H15 H 0.558943 0.856336 0.438263 0.090 Uiso 1 1 calc R U . . .
C16 C 0.3317(4) 0.8926(2) 0.39945(19) 0.0760(8) Uani 1 1 d . . . . .
H16 H 0.344096 0.968971 0.401440 0.091 Uiso 1 1 calc R U . . .
C17 C 0.1854(3) 0.8479(2) 0.37439(19) 0.0758(8) Uani 1 1 d . . . . .
H17 H 0.098668 0.893929 0.359237 0.091 Uiso 1 1 calc R U . . .
C18 C 0.1658(3) 0.73492(17) 0.37146(16) 0.0573(6) Uani 1 1 d . . . . .
H18 H 0.066094 0.705059 0.353692 0.069 Uiso 1 1 calc R U . . .
C7B C 0.2557(2) 0.48210(14) 0.31324(11) 0.0482(6) Uani 0.260(16) 1 d . . P A 2
N1B N 0.2327(2) 0.47849(15) 0.46811(13) 0.0465(6) Uani 0.260(16) 1 d . . P A 2


_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
O1 C9 1.203(2) . ?
O2 C11 1.202(3) . ?
N1 C1 1.423(2) . ?
N1 C8 1.390(2) . ?
N1 C11 1.441(3) . ?
C1 C2 1.398(3) . ?
C1 C6 1.394(3) . ?
C1 C7B 1.423(2) . ?
C2 C3 1.392(3) . ?
C2 C7 1.445(3) . ?
C2 N1B 1.445(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.370(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.378(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.370(3) . ?
C6 H6 0.9300 . ?
C7 C8 1.376(2) . ?
C7 C9 1.460(3) . ?
C8 C13 1.482(3) . ?
C8 C7B 1.390(2) . ?
C8 N1B 1.376(2) . ?
C9 C10 1.494(3) . ?
C9 N1B 1.460(3) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.492(3) . ?
C11 C7B 1.441(3) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.382(3) . ?
C13 C18 1.378(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.381(3) . ?
C15 H15 0.9300 . ?
C15 C16 1.362(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.366(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.377(3) . ?
C18 H18 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
C1 N1 C11 122.31(18) . . ?
C8 N1 C1 108.37(15) . . ?
C8 N1 C11 129.24(18) . . ?
C2 C1 N1 107.45(16) . . ?
C2 C1 C7B 107.45(16) . . ?
C6 C1 N1 131.5(2) . . ?
C6 C1 C2 121.01(19) . . ?
C6 C1 C7B 131.5(2) . . ?
C1 C2 C7 107.26(16) . . ?
C1 C2 N1B 107.26(16) . . ?
C3 C2 C1 119.49(18) . . ?
C3 C2 C7 133.25(19) . . ?
C3 C2 N1B 133.25(19) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 C2 119.0(2) . . ?
C4 C3 H3 120.5 . . ?
C3 C4 H4 119.5 . . ?
C3 C4 C5 121.0(2) . . ?
C5 C4 H4 119.5 . . ?
C4 C5 H5 119.2 . . ?
C6 C5 C4 121.5(2) . . ?
C6 C5 H5 119.2 . . ?
C1 C6 H6 121.0 . . ?
C5 C6 C1 117.9(2) . . ?
C5 C6 H6 121.0 . . ?
C2 C7 C9 122.47(17) . . ?
C8 C7 C2 107.87(16) . . ?
C8 C7 C9 129.60(18) . . ?
N1 C8 C13 123.19(17) . . ?
C7 C8 N1 109.05(17) . . ?
C7 C8 C13 127.37(18) . . ?
C7B C8 C13 123.19(17) . . ?
N1B C8 C13 127.37(18) . . ?
N1B C8 C7B 109.05(17) . . ?
O1 C9 C7 119.3(2) . . ?
O1 C9 C10 118.7(2) . . ?
O1 C9 N1B 119.3(2) . . ?
C7 C9 C10 122.0(2) . . ?
N1B C9 C10 122.0(2) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O2 C11 N1 118.9(2) . . ?
O2 C11 C12 122.2(2) . . ?
O2 C11 C7B 118.9(2) . . ?
N1 C11 C12 118.7(2) . . ?
C7B C11 C12 118.7(2) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C8 122.09(19) . . ?
C18 C13 C8 119.25(19) . . ?
C18 C13 C14 118.65(19) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 C13 120.6(2) . . ?
C15 C14 H14 119.7 . . ?
C14 C15 H15 120.1 . . ?
C16 C15 C14 119.9(2) . . ?
C16 C15 H15 120.1 . . ?
C15 C16 H16 119.9 . . ?
C15 C16 C17 120.2(2) . . ?
C17 C16 H16 119.9 . . ?
C16 C17 H17 119.9 . . ?
C16 C17 C18 120.3(2) . . ?
C18 C17 H17 119.9 . . ?
C13 C18 H18 119.8 . . ?
C17 C18 C13 120.4(2) . . ?
C17 C18 H18 119.8 . . ?
C1 C7B C11 122.31(18) . . ?
C8 C7B C1 108.37(15) . . ?
C8 C7B C11 129.24(18) . . ?
C2 N1B C9 122.47(17) . . ?
C8 N1B C2 107.87(16) . . ?
C8 N1B C9 129.60(18) . . ?

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
O1 C9 N1B C2 -2.0(3) . . . . ?
O1 C9 N1B C8 174.7(2) . . . . ?
O2 C11 C7B C1 21.0(3) . . . . ?
O2 C11 C7B C8 -155.4(2) . . . . ?
N1 C1 C2 C3 -178.92(18) . . . . ?
N1 C1 C2 C7 0.5(2) . . . . ?
N1 C1 C6 C5 178.6(2) . . . . ?
N1 C8 C13 C14 -103.5(3) . . . . ?
N1 C8 C13 C18 77.3(3) . . . . ?
C1 N1 C8 C7 0.0(2) . . . . ?
C1 N1 C8 C13 -173.30(19) . . . . ?
C1 N1 C11 O2 21.0(3) . . . . ?
C1 N1 C11 C12 -154.8(2) . . . . ?
C1 C2 C3 C4 -0.5(3) . . . . ?
C1 C2 C7 C8 -0.5(2) . . . . ?
C1 C2 C7 C9 176.89(19) . . . . ?
C1 C2 N1B C8 -0.5(2) . . . . ?
C1 C2 N1B C9 176.89(19) . . . . ?
C2 C1 C6 C5 1.7(3) . . . . ?
C2 C1 C7B C8 -0.3(2) . . . . ?
C2 C1 C7B C11 -177.39(18) . . . . ?
C2 C3 C4 C5 2.1(4) . . . . ?
C2 C7 C8 N1 0.3(2) . . . . ?
C2 C7 C8 C13 173.2(2) . . . . ?
C2 C7 C9 O1 -2.0(3) . . . . ?
C2 C7 C9 C10 178.0(2) . . . . ?
C3 C2 C7 C8 178.8(2) . . . . ?
C3 C2 C7 C9 -3.8(4) . . . . ?
C3 C2 N1B C8 178.8(2) . . . . ?
C3 C2 N1B C9 -3.8(4) . . . . ?
C3 C4 C5 C6 -1.8(4) . . . . ?
C4 C5 C6 C1 -0.2(4) . . . . ?
C6 C1 C2 C3 -1.4(3) . . . . ?
C6 C1 C2 C7 178.0(2) . . . . ?
C6 C1 C2 N1B 178.0(2) . . . . ?
C6 C1 C7B C8 -177.5(2) . . . . ?
C6 C1 C7B C11 5.5(4) . . . . ?
C7 C2 C3 C4 -179.8(2) . . . . ?
C7 C8 C13 C14 84.4(3) . . . . ?
C7 C8 C13 C18 -94.8(3) . . . . ?
C8 N1 C1 C2 -0.3(2) . . . . ?
C8 N1 C1 C6 -177.5(2) . . . . ?
C8 N1 C11 O2 -155.4(2) . . . . ?
C8 N1 C11 C12 28.8(3) . . . . ?
C8 C7 C9 O1 174.7(2) . . . . ?
C8 C7 C9 C10 -5.2(4) . . . . ?
C8 C13 C14 C15 -178.0(2) . . . . ?
C8 C13 C18 C17 177.9(2) . . . . ?
C9 C7 C8 N1 -176.8(2) . . . . ?
C9 C7 C8 C13 -3.9(4) . . . . ?
C10 C9 N1B C2 178.0(2) . . . . ?
C10 C9 N1B C8 -5.2(4) . . . . ?
C11 N1 C1 C2 -177.39(18) . . . . ?
C11 N1 C1 C6 5.5(4) . . . . ?
C11 N1 C8 C7 176.8(2) . . . . ?
C11 N1 C8 C13 3.5(3) . . . . ?
C12 C11 C7B C1 -154.8(2) . . . . ?
C12 C11 C7B C8 28.8(3) . . . . ?
C13 C8 C7B C1 -173.30(19) . . . . ?
C13 C8 C7B C11 3.5(3) . . . . ?
C13 C8 N1B C2 173.2(2) . . . . ?
C13 C8 N1B C9 -3.9(4) . . . . ?
C13 C14 C15 C16 -0.3(4) . . . . ?
C14 C13 C18 C17 -1.3(3) . . . . ?
C14 C15 C16 C17 -0.3(4) . . . . ?
C15 C16 C17 C18 0.2(4) . . . . ?
C16 C17 C18 C13 0.7(4) . . . . ?
C18 C13 C14 C15 1.2(3) . . . . ?
C7B C1 C2 C3 -178.92(18) . . . . ?
C7B C1 C2 N1B 0.5(2) . . . . ?
C7B C1 C6 C5 178.6(2) . . . . ?
C7B C8 C13 C14 -103.5(3) . . . . ?
C7B C8 C13 C18 77.3(3) . . . . ?
C7B C8 N1B C2 0.3(2) . . . . ?
C7B C8 N1B C9 -176.8(2) . . . . ?
N1B C2 C3 C4 -179.8(2) . . . . ?
N1B C8 C13 C14 84.4(3) . . . . ?
N1B C8 C13 C18 -94.8(3) . . . . ?
N1B C8 C7B C1 0.0(2) . . . . ?
N1B C8 C7B C11 176.8(2) . . . . ?

_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 1.661
_oxdiff_exptl_absorpt_empirical_full_min 0.915
