# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_lhy
_database_code_depnum_ccdc_archive 'CCDC 2048332'
loop_
_audit_author_name
_audit_author_address
'quan gou'
;yangtze normal university
China
;
_audit_update_record             
;
2020-12-04 deposited with the CCDC.	2022-07-11 downloaded from the CCDC.
;
_audit_creation_date             2020-12-04
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.06.28 svn.raecde09e for OlexSys, GUI svn.r6132)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C23 H27 N O2'
_chemical_formula_sum            'C23 H27 N O2'
_chemical_formula_weight         349.45
_chemical_melting_point          ?
_chemical_oxdiff_formula         CHON
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'

_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                   17.6069(3)
_cell_length_b                   11.3574(2)
_cell_length_c                   10.3434(2)
_cell_angle_alpha                90
_cell_angle_beta                 102.098(2)
_cell_angle_gamma                90
_cell_volume                     2022.42(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5131
_cell_measurement_temperature    293.15
_cell_measurement_theta_max      73.6600
_cell_measurement_theta_min      5.8620
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.567
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.55969
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
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    1.148
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             752
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0346
_diffrn_reflns_av_unetI/netI     0.0357
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            10931
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.091
_diffrn_reflns_theta_min         2.567
_diffrn_ambient_temperature      293.15
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -47.00  10.00   0.50    0.50    --    0.00 -19.00  90.00  114
  2  ω    -72.00 -34.00   0.50    0.50    --    0.00 -38.00  30.00   76
  3  ω    -17.00  68.00   0.50    0.50    --    0.00  38.00 -60.00  170
  4  ω      6.00 124.00   0.50    1.50    --   95.20 -82.00 120.00  236
  5  ω    122.00 148.00   0.50    1.50    --   95.20  30.00-150.00   52
  6  ω    131.00 178.00   0.50    1.50    --   95.20  15.00 -60.00   94
  7  ω     47.00  99.00   0.50    1.50    --   95.20 -45.00 150.00  104
  8  ω      7.00  33.00   0.50    1.50    --   95.20 -45.00 150.00   52
  9  ω     72.00 127.00   0.50    1.50    --   95.20  15.00 -60.00  110
 10  ω     80.00 106.00   0.50    1.50    --   95.20  30.00-150.00   52
 11  ω     14.00 108.00   0.50    1.50    --   95.20 -30.00 150.00  188
 12  ω     78.00 185.00   0.50    1.50    --   95.20  15.00   0.00  214
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa dual home/near'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0202419000
_diffrn_orient_matrix_UB_12      0.1260390000
_diffrn_orient_matrix_UB_13      -0.0508359000
_diffrn_orient_matrix_UB_21      -0.0771731000
_diffrn_orient_matrix_UB_22      -0.0069211000
_diffrn_orient_matrix_UB_23      0.0474673000
_diffrn_orient_matrix_UB_31      0.0405670000
_diffrn_orient_matrix_UB_32      0.0496902000
_diffrn_orient_matrix_UB_33      0.1354773000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\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                3315
_reflns_number_total             3976
_reflns_odcompleteness_completeness 99.90
_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 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXD  (Sheldrick, 2008)'
_refine_diff_density_max         0.162
_refine_diff_density_min         -0.173
_refine_diff_density_rms         0.040
_refine_ls_extinction_coef       0.0116(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     242
_refine_ls_number_reflns         3976
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0543
_refine_ls_R_factor_gt           0.0471
_refine_ls_restrained_S_all      1.040
_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)+(0.0889P)²+0.1740P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1398
_refine_ls_wR_factor_ref         0.1465
_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.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C5(H5), C6(H6), C7(H7), C10(H10), C11(H11), C13(H13), C14(H14)
2.b Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C21(H21A,H21B,
 H21C), C22(H22A,H22B,H22C), C23(H23A,H23B,H23C)
;
_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 0.17528(5) 0.92550(9) 0.24758(10) 0.0554(3) Uani 1 1 d . . . . .
O2 O 0.21791(6) 1.06234(11) 0.40413(12) 0.0702(4) Uani 1 1 d . . . . .
N1 N 0.40878(6) 0.90699(9) 0.21485(11) 0.0434(3) Uani 1 1 d . . . . .
C1 C 0.43259(8) 1.00686(12) 0.28929(13) 0.0489(3) Uani 1 1 d . . . . .
H1 H 0.4822 1.0391 0.3053 0.059 Uiso 1 1 calc R U . . .
C2 C 0.37109(8) 1.04972(12) 0.33492(14) 0.0498(3) Uani 1 1 d . . . . .
H2 H 0.3718 1.1161 0.3878 0.060 Uiso 1 1 calc R U . . .
C3 C 0.30592(7) 0.97712(11) 0.28894(13) 0.0442(3) Uani 1 1 d . . . . .
C4 C 0.32982(7) 0.88775(11) 0.21270(13) 0.0431(3) Uani 1 1 d . . . . .
C5 C 0.29312(8) 0.79130(13) 0.13975(16) 0.0564(4) Uani 1 1 d . . . . .
H5 H 0.2410 0.7757 0.1378 0.068 Uiso 1 1 calc R U . . .
C6 C 0.33353(9) 0.72141(15) 0.07255(18) 0.0678(5) Uani 1 1 d . . . . .
H6 H 0.3091 0.6578 0.0245 0.081 Uiso 1 1 calc R U . . .
C7 C 0.41273(9) 0.74458(14) 0.07494(16) 0.0601(4) Uani 1 1 d . . . . .
H7 H 0.4395 0.6966 0.0268 0.072 Uiso 1 1 calc R U . . .
C8 C 0.45052(8) 0.83521(12) 0.14585(13) 0.0479(3) Uani 1 1 d . . . . .
C9 C 0.53425(8) 0.86003(12) 0.15457(14) 0.0472(3) Uani 1 1 d . . . . .
C10 C 0.56320(8) 0.86867(13) 0.04038(14) 0.0508(3) Uani 1 1 d . . . . .
H10 H 0.5293 0.8635 -0.0415 0.061 Uiso 1 1 calc R U . . .
C11 C 0.64174(8) 0.88489(13) 0.04593(14) 0.0513(3) Uani 1 1 d . . . . .
H11 H 0.6596 0.8899 -0.0324 0.062 Uiso 1 1 calc R U . . .
C12 C 0.69476(7) 0.89389(12) 0.16649(13) 0.0460(3) Uani 1 1 d . . . . .
C13 C 0.66478(8) 0.88541(15) 0.28073(15) 0.0566(4) Uani 1 1 d . . . . .
H13 H 0.6984 0.8914 0.3628 0.068 Uiso 1 1 calc R U . . .
C14 C 0.58663(8) 0.86847(15) 0.27537(14) 0.0565(4) Uani 1 1 d . . . . .
H14 H 0.5687 0.8626 0.3535 0.068 Uiso 1 1 calc R U . . .
C15 C 0.78141(8) 0.91674(13) 0.17515(15) 0.0517(3) Uani 1 1 d . . . . .
C16 C 0.80611(11) 0.8850(2) 0.04678(19) 0.0881(7) Uani 1 1 d . . . . .
H16A H 0.7925 0.8046 0.0243 0.132 Uiso 1 1 calc R U . . .
H16B H 0.8613 0.8948 0.0580 0.132 Uiso 1 1 calc R U . . .
H16C H 0.7801 0.9357 -0.0228 0.132 Uiso 1 1 calc R U . . .
C17 C 0.83032(9) 0.84297(18) 0.28587(18) 0.0702(5) Uani 1 1 d . . . . .
H17A H 0.8184 0.8649 0.3690 0.105 Uiso 1 1 calc R U . . .
H17B H 0.8844 0.8567 0.2887 0.105 Uiso 1 1 calc R U . . .
H17C H 0.8188 0.7610 0.2694 0.105 Uiso 1 1 calc R U . . .
C18 C 0.79731(12) 1.04630(17) 0.2084(3) 0.0962(7) Uani 1 1 d . . . . .
H18A H 0.7679 1.0942 0.1392 0.144 Uiso 1 1 calc R U . . .
H18B H 0.8517 1.0621 0.2168 0.144 Uiso 1 1 calc R U . . .
H18C H 0.7824 1.0643 0.2903 0.144 Uiso 1 1 calc R U . . .
C19 C 0.23027(8) 0.99452(12) 0.32091(13) 0.0479(3) Uani 1 1 d . . . . .
C20 C 0.09472(8) 0.92344(14) 0.26636(16) 0.0568(4) Uani 1 1 d . . . . .
C21 C 0.05662(10) 0.8378(2) 0.1595(2) 0.0865(6) Uani 1 1 d . . . . .
H21A H 0.0619 0.8667 0.0746 0.130 Uiso 1 1 calc R U . . .
H21B H 0.0025 0.8302 0.1611 0.130 Uiso 1 1 calc R U . . .
H21C H 0.0813 0.7623 0.1752 0.130 Uiso 1 1 calc R U . . .
C22 C 0.05836(10) 1.04401(18) 0.2410(3) 0.0875(6) Uani 1 1 d . . . . .
H22A H 0.0817 1.0965 0.3107 0.131 Uiso 1 1 calc R U . . .
H22B H 0.0036 1.0386 0.2380 0.131 Uiso 1 1 calc R U . . .
H22C H 0.0666 1.0735 0.1580 0.131 Uiso 1 1 calc R U . . .
C23 C 0.09306(13) 0.8752(3) 0.4011(2) 0.0975(7) Uani 1 1 d . . . . .
H23A H 0.1213 0.8024 0.4141 0.146 Uiso 1 1 calc R U . . .
H23B H 0.0402 0.8617 0.4079 0.146 Uiso 1 1 calc R U . . .
H23C H 0.1166 0.9308 0.4674 0.146 Uiso 1 1 calc R U . . .


_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 C19 1.3488(16) . ?
O1 C20 1.4716(16) . ?
O2 C19 1.2084(17) . ?
N1 C1 1.3856(16) . ?
N1 C4 1.4028(16) . ?
N1 C8 1.3907(17) . ?
C1 H1 0.9300 . ?
C1 C2 1.359(2) . ?
C2 H2 0.9300 . ?
C2 C3 1.4121(18) . ?
C3 C4 1.4029(18) . ?
C3 C19 1.4516(18) . ?
C4 C5 1.4080(19) . ?
C5 H5 0.9300 . ?
C5 C6 1.352(2) . ?
C6 H6 0.9300 . ?
C6 C7 1.414(2) . ?
C7 H7 0.9300 . ?
C7 C8 1.355(2) . ?
C8 C9 1.4850(18) . ?
C9 C10 1.385(2) . ?
C9 C14 1.392(2) . ?
C10 H10 0.9300 . ?
C10 C11 1.3842(19) . ?
C11 H11 0.9300 . ?
C11 C12 1.396(2) . ?
C12 C13 1.395(2) . ?
C12 C15 1.5315(18) . ?
C13 H13 0.9300 . ?
C13 C14 1.379(2) . ?
C14 H14 0.9300 . ?
C15 C16 1.524(2) . ?
C15 C17 1.530(2) . ?
C15 C18 1.524(2) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C20 C21 1.519(3) . ?
C20 C22 1.511(2) . ?
C20 C23 1.504(3) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?

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
C19 O1 C20 122.22(11) . . ?
C1 N1 C4 108.65(11) . . ?
C1 N1 C8 129.35(11) . . ?
C8 N1 C4 121.94(11) . . ?
N1 C1 H1 125.8 . . ?
C2 C1 N1 108.41(12) . . ?
C2 C1 H1 125.8 . . ?
C1 C2 H2 125.5 . . ?
C1 C2 C3 108.92(12) . . ?
C3 C2 H2 125.5 . . ?
C2 C3 C19 124.29(12) . . ?
C4 C3 C2 107.07(12) . . ?
C4 C3 C19 128.62(12) . . ?
N1 C4 C5 118.14(12) . . ?
C3 C4 N1 106.94(11) . . ?
C3 C4 C5 134.92(12) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 C4 120.04(13) . . ?
C6 C5 H5 120.0 . . ?
C5 C6 H6 119.8 . . ?
C5 C6 C7 120.34(14) . . ?
C7 C6 H6 119.8 . . ?
C6 C7 H7 119.3 . . ?
C8 C7 C6 121.42(14) . . ?
C8 C7 H7 119.3 . . ?
N1 C8 C9 118.83(12) . . ?
C7 C8 N1 118.09(12) . . ?
C7 C8 C9 123.07(13) . . ?
C10 C9 C8 119.99(12) . . ?
C10 C9 C14 117.89(13) . . ?
C14 C9 C8 122.01(12) . . ?
C9 C10 H10 119.4 . . ?
C9 C10 C11 121.15(13) . . ?
C11 C10 H10 119.4 . . ?
C10 C11 H11 119.3 . . ?
C10 C11 C12 121.47(13) . . ?
C12 C11 H11 119.3 . . ?
C11 C12 C15 122.42(12) . . ?
C13 C12 C11 116.79(12) . . ?
C13 C12 C15 120.75(12) . . ?
C12 C13 H13 119.1 . . ?
C14 C13 C12 121.81(13) . . ?
C14 C13 H13 119.1 . . ?
C9 C14 H14 119.6 . . ?
C13 C14 C9 120.90(13) . . ?
C13 C14 H14 119.6 . . ?
C12 C15 C17 110.40(12) . . ?
C16 C15 C12 111.81(13) . . ?
C16 C15 C17 107.69(14) . . ?
C18 C15 C12 108.09(12) . . ?
C18 C15 C16 110.64(17) . . ?
C18 C15 C17 108.16(16) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O1 C19 C3 112.18(11) . . ?
O2 C19 O1 123.76(13) . . ?
O2 C19 C3 124.05(13) . . ?
O1 C20 C21 101.83(12) . . ?
O1 C20 C22 110.34(13) . . ?
O1 C20 C23 109.56(13) . . ?
C22 C20 C21 110.34(16) . . ?
C23 C20 C21 110.48(17) . . ?
C23 C20 C22 113.66(18) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?

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
N1 C1 C2 C3 -0.34(16) . . . . ?
N1 C4 C5 C6 -1.1(2) . . . . ?
N1 C8 C9 C10 -129.62(14) . . . . ?
N1 C8 C9 C14 54.18(19) . . . . ?
C1 N1 C4 C3 -0.77(14) . . . . ?
C1 N1 C4 C5 178.76(13) . . . . ?
C1 N1 C8 C7 -177.09(14) . . . . ?
C1 N1 C8 C9 3.8(2) . . . . ?
C1 C2 C3 C4 -0.14(16) . . . . ?
C1 C2 C3 C19 178.43(13) . . . . ?
C2 C3 C4 N1 0.55(15) . . . . ?
C2 C3 C4 C5 -178.86(16) . . . . ?
C2 C3 C19 O1 169.77(12) . . . . ?
C2 C3 C19 O2 -10.7(2) . . . . ?
C3 C4 C5 C6 178.29(16) . . . . ?
C4 N1 C1 C2 0.70(15) . . . . ?
C4 N1 C8 C7 0.1(2) . . . . ?
C4 N1 C8 C9 -179.07(11) . . . . ?
C4 C3 C19 O1 -12.0(2) . . . . ?
C4 C3 C19 O2 167.56(15) . . . . ?
C4 C5 C6 C7 0.0(3) . . . . ?
C5 C6 C7 C8 1.2(3) . . . . ?
C6 C7 C8 N1 -1.2(2) . . . . ?
C6 C7 C8 C9 177.88(15) . . . . ?
C7 C8 C9 C10 51.3(2) . . . . ?
C7 C8 C9 C14 -124.92(17) . . . . ?
C8 N1 C1 C2 178.16(13) . . . . ?
C8 N1 C4 C3 -178.46(12) . . . . ?
C8 N1 C4 C5 1.07(19) . . . . ?
C8 C9 C10 C11 -176.20(13) . . . . ?
C8 C9 C14 C13 176.55(14) . . . . ?
C9 C10 C11 C12 -0.4(2) . . . . ?
C10 C9 C14 C13 0.3(2) . . . . ?
C10 C11 C12 C13 0.2(2) . . . . ?
C10 C11 C12 C15 -177.51(13) . . . . ?
C11 C12 C13 C14 0.3(2) . . . . ?
C11 C12 C15 C16 -20.3(2) . . . . ?
C11 C12 C15 C17 -140.17(15) . . . . ?
C11 C12 C15 C18 101.71(19) . . . . ?
C12 C13 C14 C9 -0.5(3) . . . . ?
C13 C12 C15 C16 162.11(16) . . . . ?
C13 C12 C15 C17 42.24(19) . . . . ?
C13 C12 C15 C18 -75.9(2) . . . . ?
C14 C9 C10 C11 0.2(2) . . . . ?
C15 C12 C13 C14 177.99(14) . . . . ?
C19 O1 C20 C21 178.03(15) . . . . ?
C19 O1 C20 C22 60.87(19) . . . . ?
C19 O1 C20 C23 -64.99(19) . . . . ?
C19 C3 C4 N1 -177.93(12) . . . . ?
C19 C3 C4 C5 2.7(3) . . . . ?
C20 O1 C19 O2 -2.4(2) . . . . ?
C20 O1 C19 C3 177.11(11) . . . . ?

_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 2.401
_oxdiff_exptl_absorpt_empirical_full_min 0.535
