# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_202408294_auto
_database_code_depnum_ccdc_archive 'CCDC 2382994'
loop_
_audit_author_name
_audit_author_address
'wenguang li'
;Nanyang Normal University
China
;
_audit_update_record             
;
2024-09-10 deposited with the CCDC.	2024-11-22 downloaded from the CCDC.
;
_audit_creation_date             2024-08-29
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C18 H16 O'
_chemical_formula_sum            'C18 H16 O'
_chemical_formula_weight         248.31
_chemical_melting_point          ?
_chemical_oxdiff_formula         C22H21N3O3
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'
O O 0.0492 0.0322 '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/n 1'
_space_group_name_Hall           '-P 2yn'
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'

_cell_length_a                   13.2395(3)
_cell_length_b                   6.47823(15)
_cell_length_c                   15.3111(3)
_cell_angle_alpha                90
_cell_angle_beta                 96.118(2)
_cell_angle_gamma                90
_cell_volume                     1305.73(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2160
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      70.2280
_cell_measurement_theta_min      4.1980
_shelx_estimated_absorpt_T_max   0.954
_shelx_estimated_absorpt_T_min   0.911
_exptl_absorpt_coefficient_mu    0.592
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.87951
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.102a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.263
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             528
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0245
_diffrn_reflns_av_unetI/netI     0.0305
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            4824
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.070
_diffrn_reflns_theta_max         67.070
_diffrn_reflns_theta_min         4.199
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.2312
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -108.00 -35.00   1.00    1.00    --  -33.50 178.00  60.00   73
  2  ω    -52.00  35.00   1.00    1.00    --  -33.50  57.00-120.00   87
  3  ω    -62.00  27.00   1.00    1.00    --  -33.50  77.00 120.00   89
  4  ω     83.00 109.00   1.00    1.00    --   36.47 178.00-120.00   26
  5  ω     18.00  99.00   1.00    1.00    --   36.47  57.00  90.00   81
  6  ω     36.00  61.00   1.00    1.00    --   36.47 -77.00-180.00   25
  7  ω     79.00 105.00   1.00    1.00    --   36.47 178.00 -30.00   26
  8  ω     -9.00  23.00   1.00    1.00    --   36.47 -77.00-180.00   32
  9  ω     62.00 100.00   1.00    1.00    --   36.47 178.00  60.00   38
 10  ω     38.00  99.00   1.00    5.00    --  108.00 -94.00   0.00   61
 11  ω     46.00 125.00   1.00    5.00    --  108.00 -45.00  30.00   79
 12  ω     42.00  88.00   1.00    5.00    --  108.00-111.00   0.00   46
 13  ω    100.00 126.00   1.00    5.00    --  108.00 -61.00  60.00   26
 14  ω    127.00 167.00   1.00    5.00    --  108.00  77.00 150.00   40
 15  ω    137.00 176.00   1.00    5.00    --  108.00  45.00-150.00   39
 16  ω     96.00 167.00   1.00    5.00    --  108.00  61.00-180.00   71
 17  ω    132.00 178.00   1.00    5.00    --  108.00  45.00 120.00   46
 18  ω     38.00 106.00   1.00    5.00    --  108.00 -94.00  60.00   68
;
_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      -0.0366344000
_diffrn_orient_matrix_UB_12      -0.0717385000
_diffrn_orient_matrix_UB_13      -0.0939910000
_diffrn_orient_matrix_UB_21      0.1011631000
_diffrn_orient_matrix_UB_22      0.0718301000
_diffrn_orient_matrix_UB_23      -0.0310910000
_diffrn_orient_matrix_UB_31      0.0460201000
_diffrn_orient_matrix_UB_32      -0.2150342000
_diffrn_orient_matrix_UB_33      0.0210241000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1837
_reflns_number_total             2334
_reflns_odcompleteness_completeness 99.92
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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 1.171.42.102a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.102a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.102a (Rigaku OD, 2023)'
_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    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.140
_refine_diff_density_min         -0.124
_refine_diff_density_rms         0.032
_refine_ls_extinction_coef       0.0036(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     173
_refine_ls_number_reflns         2334
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0571
_refine_ls_R_factor_gt           0.0445
_refine_ls_restrained_S_all      1.068
_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)+(0.0587P)²+0.1236P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1191
_refine_ls_wR_factor_ref         0.1313
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C12(H12), C13(H13), C14(H14), C16(H16)
2.b Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C17(H17A,H17B), C18(H18A,H18B)
2.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C7(H7), C10(H10)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.34789(11) 0.1681(2) 0.53653(9) 0.0700(4) Uani 1 1 d . . . . .
C1 C 0.60562(13) 0.1307(3) 0.28204(12) 0.0597(5) Uani 1 1 d . . . . .
H1 H 0.6170 0.0004 0.3066 0.072 Uiso 1 1 calc R . . . .
C2 C 0.65632(15) 0.1898(4) 0.21321(13) 0.0667(5) Uani 1 1 d . . . . .
H2 H 0.7011 0.0986 0.1906 0.080 Uiso 1 1 calc R . . . .
C3 C 0.64139(14) 0.3869(4) 0.17630(13) 0.0675(6) Uani 1 1 d . . . . .
H3 H 0.6766 0.4256 0.1295 0.081 Uiso 1 1 calc R . . . .
C4 C 0.57584(14) 0.5221(3) 0.20841(13) 0.0625(5) Uani 1 1 d . . . . .
H4 H 0.5671 0.6526 0.1834 0.075 Uiso 1 1 calc R . . . .
C5 C 0.52059(12) 0.4672(3) 0.27939(11) 0.0499(4) Uani 1 1 d . . . . .
C6 C 0.53583(12) 0.2660(3) 0.31659(10) 0.0480(4) Uani 1 1 d . . . . .
C7 C 0.48210(12) 0.2092(3) 0.38743(11) 0.0494(4) Uani 1 1 d . . . . .
H7 H 0.4913 0.0794 0.4130 0.059 Uiso 1 1 calc R . . . .
C8 C 0.41618(12) 0.3477(3) 0.41814(10) 0.0466(4) Uani 1 1 d . . . . .
C9 C 0.39990(12) 0.5460(3) 0.38157(10) 0.0470(4) Uani 1 1 d . . . . .
C10 C 0.45170(13) 0.6045(3) 0.31326(11) 0.0532(4) Uani 1 1 d . . . . .
H10 H 0.4416 0.7354 0.2889 0.064 Uiso 1 1 calc R . . . .
C11 C 0.35209(13) 0.3215(3) 0.49059(11) 0.0501(4) Uani 1 1 d . . . . .
C12 C 0.29048(13) 0.5164(3) 0.49776(10) 0.0495(4) Uani 1 1 d . . . . .
H12 H 0.3031 0.5765 0.5566 0.059 Uiso 1 1 calc R . . . .
C13 C 0.32310(13) 0.6675(3) 0.42703(11) 0.0507(4) Uani 1 1 d . . . . .
H13 H 0.3528 0.7943 0.4536 0.061 Uiso 1 1 calc R . . . .
C14 C 0.22225(15) 0.7103(4) 0.37074(13) 0.0673(6) Uani 1 1 d . . . . .
H14 H 0.2294 0.7649 0.3120 0.081 Uiso 1 1 calc R . . . .
C15 C 0.16970(15) 0.5000(4) 0.37159(13) 0.0718(6) Uani 1 1 d . . . . .
H15A H 0.1003 0.5032 0.3439 0.086 Uiso 1 1 calc R . . . .
H15B H 0.2076 0.3914 0.3461 0.086 Uiso 1 1 calc R . . . .
C16 C 0.17594(13) 0.4868(3) 0.47132(13) 0.0594(5) Uani 1 1 d . . . . .
H16 H 0.1469 0.3613 0.4942 0.071 Uiso 1 1 calc R . . . .
C17 C 0.12304(16) 0.6882(3) 0.49297(16) 0.0707(6) Uani 1 1 d . . . . .
H17A H 0.1448 0.7326 0.5525 0.085 Uiso 1 1 calc R . . . .
H17B H 0.0498 0.6718 0.4863 0.085 Uiso 1 1 calc R . . . .
C18 C 0.15667(17) 0.8426(4) 0.42573(16) 0.0760(6) Uani 1 1 d . . . . .
H18A H 0.0986 0.8996 0.3897 0.091 Uiso 1 1 calc R . . . .
H18B H 0.1958 0.9545 0.4546 0.091 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
O1 C11 1.222(2) . ?
C1 H1 0.9300 . ?
C1 C2 1.363(3) . ?
C1 C6 1.416(2) . ?
C2 H2 0.9300 . ?
C2 C3 1.402(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.361(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.418(2) . ?
C5 C6 1.428(2) . ?
C5 C10 1.412(2) . ?
C6 C7 1.408(2) . ?
C7 H7 0.9300 . ?
C7 C8 1.369(2) . ?
C8 C9 1.409(2) . ?
C8 C11 1.476(2) . ?
C9 C10 1.364(2) . ?
C9 C13 1.513(2) . ?
C10 H10 0.9300 . ?
C11 C12 1.514(2) . ?
C12 H12 0.9800 . ?
C12 C13 1.555(2) . ?
C12 C16 1.539(2) . ?
C13 H13 0.9800 . ?
C13 C14 1.535(2) . ?
C14 H14 0.9800 . ?
C14 C15 1.531(3) . ?
C14 C18 1.534(3) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.523(3) . ?
C16 H16 0.9800 . ?
C16 C17 1.534(3) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C18 1.535(3) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?

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
C2 C1 H1 119.7 . . ?
C2 C1 C6 120.65(19) . . ?
C6 C1 H1 119.7 . . ?
C1 C2 H2 119.8 . . ?
C1 C2 C3 120.48(19) . . ?
C3 C2 H2 119.8 . . ?
C2 C3 H3 119.7 . . ?
C4 C3 C2 120.55(18) . . ?
C4 C3 H3 119.7 . . ?
C3 C4 H4 119.5 . . ?
C3 C4 C5 121.07(19) . . ?
C5 C4 H4 119.5 . . ?
C4 C5 C6 118.17(17) . . ?
C10 C5 C4 121.96(17) . . ?
C10 C5 C6 119.87(15) . . ?
C1 C6 C5 119.07(16) . . ?
C7 C6 C1 121.95(17) . . ?
C7 C6 C5 118.97(16) . . ?
C6 C7 H7 120.5 . . ?
C8 C7 C6 119.08(16) . . ?
C8 C7 H7 120.5 . . ?
C7 C8 C9 122.49(15) . . ?
C7 C8 C11 128.39(16) . . ?
C9 C8 C11 109.12(15) . . ?
C8 C9 C13 111.94(14) . . ?
C10 C9 C8 119.34(16) . . ?
C10 C9 C13 128.72(16) . . ?
C5 C10 H10 119.9 . . ?
C9 C10 C5 120.25(17) . . ?
C9 C10 H10 119.9 . . ?
O1 C11 C8 126.23(17) . . ?
O1 C11 C12 125.35(16) . . ?
C8 C11 C12 108.41(14) . . ?
C11 C12 H12 111.0 . . ?
C11 C12 C13 106.44(13) . . ?
C11 C12 C16 113.60(15) . . ?
C13 C12 H12 111.0 . . ?
C16 C12 H12 111.0 . . ?
C16 C12 C13 103.55(14) . . ?
C9 C13 C12 104.06(13) . . ?
C9 C13 H13 111.6 . . ?
C9 C13 C14 115.00(15) . . ?
C12 C13 H13 111.6 . . ?
C14 C13 C12 102.43(14) . . ?
C14 C13 H13 111.6 . . ?
C13 C14 H14 114.7 . . ?
C15 C14 C13 101.72(16) . . ?
C15 C14 H14 114.7 . . ?
C15 C14 C18 102.02(17) . . ?
C18 C14 C13 107.58(17) . . ?
C18 C14 H14 114.7 . . ?
C14 C15 H15A 112.8 . . ?
C14 C15 H15B 112.8 . . ?
H15A C15 H15B 110.2 . . ?
C16 C15 C14 94.73(15) . . ?
C16 C15 H15A 112.8 . . ?
C16 C15 H15B 112.8 . . ?
C12 C16 H16 115.0 . . ?
C15 C16 C12 101.73(14) . . ?
C15 C16 H16 115.0 . . ?
C15 C16 C17 101.06(18) . . ?
C17 C16 C12 107.27(16) . . ?
C17 C16 H16 115.0 . . ?
C16 C17 H17A 111.0 . . ?
C16 C17 H17B 111.0 . . ?
C16 C17 C18 103.74(16) . . ?
H17A C17 H17B 109.0 . . ?
C18 C17 H17A 111.0 . . ?
C18 C17 H17B 111.0 . . ?
C14 C18 C17 103.05(18) . . ?
C14 C18 H18A 111.2 . . ?
C14 C18 H18B 111.2 . . ?
C17 C18 H18A 111.2 . . ?
C17 C18 H18B 111.2 . . ?
H18A C18 H18B 109.1 . . ?

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
_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 C11 C12 C13 179.17(17) . . . . ?
O1 C11 C12 C16 -67.5(2) . . . . ?
C1 C2 C3 C4 -0.2(3) . . . . ?
C1 C6 C7 C8 179.58(16) . . . . ?
C2 C1 C6 C5 -1.2(3) . . . . ?
C2 C1 C6 C7 179.79(17) . . . . ?
C2 C3 C4 C5 -0.4(3) . . . . ?
C3 C4 C5 C6 0.2(3) . . . . ?
C3 C4 C5 C10 -179.54(18) . . . . ?
C4 C5 C6 C1 0.6(2) . . . . ?
C4 C5 C6 C7 179.63(16) . . . . ?
C4 C5 C10 C9 179.95(17) . . . . ?
C5 C6 C7 C8 0.5(2) . . . . ?
C6 C1 C2 C3 1.0(3) . . . . ?
C6 C5 C10 C9 0.2(3) . . . . ?
C6 C7 C8 C9 -0.1(3) . . . . ?
C6 C7 C8 C11 179.65(16) . . . . ?
C7 C8 C9 C10 -0.3(3) . . . . ?
C7 C8 C9 C13 179.64(15) . . . . ?
C7 C8 C11 O1 0.5(3) . . . . ?
C7 C8 C11 C12 -178.54(16) . . . . ?
C8 C9 C10 C5 0.3(3) . . . . ?
C8 C9 C13 C12 -0.95(18) . . . . ?
C8 C9 C13 C14 -112.15(17) . . . . ?
C8 C11 C12 C13 -1.76(18) . . . . ?
C8 C11 C12 C16 111.54(16) . . . . ?
C9 C8 C11 O1 -179.74(17) . . . . ?
C9 C8 C11 C12 1.21(18) . . . . ?
C9 C13 C14 C15 75.85(19) . . . . ?
C9 C13 C14 C18 -177.36(16) . . . . ?
C10 C5 C6 C1 -179.69(16) . . . . ?
C10 C5 C6 C7 -0.6(2) . . . . ?
C10 C9 C13 C12 179.03(17) . . . . ?
C10 C9 C13 C14 67.8(2) . . . . ?
C11 C8 C9 C10 179.89(15) . . . . ?
C11 C8 C9 C13 -0.13(19) . . . . ?
C11 C12 C13 C9 1.61(17) . . . . ?
C11 C12 C13 C14 121.71(15) . . . . ?
C11 C12 C16 C15 -81.34(18) . . . . ?
C11 C12 C16 C17 173.01(15) . . . . ?
C12 C13 C14 C15 -36.32(18) . . . . ?
C12 C13 C14 C18 70.5(2) . . . . ?
C12 C16 C17 C18 69.6(2) . . . . ?
C13 C9 C10 C5 -179.72(16) . . . . ?
C13 C12 C16 C15 33.68(18) . . . . ?
C13 C12 C16 C17 -71.96(18) . . . . ?
C13 C14 C15 C16 56.35(17) . . . . ?
C13 C14 C18 C17 -73.4(2) . . . . ?
C14 C15 C16 C12 -54.88(17) . . . . ?
C14 C15 C16 C17 55.58(17) . . . . ?
C15 C14 C18 C17 33.2(2) . . . . ?
C15 C16 C17 C18 -36.5(2) . . . . ?
C16 C12 C13 C9 -118.42(14) . . . . ?
C16 C12 C13 C14 1.68(18) . . . . ?
C16 C17 C18 C14 1.9(2) . . . . ?
C18 C14 C15 C16 -54.73(18) . . . . ?

_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 1.125
_oxdiff_exptl_absorpt_empirical_full_min 0.844
