# 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_1230-2
_database_code_depnum_ccdc_archive 'CCDC 2167244'
loop_
_audit_author_name
_audit_author_address
LYZ
;Guangdong Pharmaceutical University
China
;
_audit_update_record             
;
2022-04-19 deposited with the CCDC.	2022-06-27 downloaded from the CCDC.
;
_audit_creation_date             2022-04-18
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H23 Cl N2 O'
_chemical_formula_sum            'C25 H23 Cl N2 O'
_chemical_formula_weight         402.90
_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'
Cl Cl 0.1484 0.1585 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.9471(18)
_cell_length_b                   10.8316(16)
_cell_length_c                   11.5440(19)
_cell_angle_alpha                70.149(14)
_cell_angle_beta                 68.430(16)
_cell_angle_gamma                80.750(13)
_cell_volume                     1087.0(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2854
_cell_measurement_temperature    169.99(10)
_cell_measurement_theta_max      28.7960
_cell_measurement_theta_min      2.3600
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.193
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.30630
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
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    1.231
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             424
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0274
_diffrn_reflns_av_unetI/netI     0.0499
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6966
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.992
_diffrn_ambient_temperature      169.99(10)
_diffrn_detector_area_resol_mean 5.2684
_diffrn_detector_type            AtlasS2
_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    -55.00  36.00   1.00    2.00    --   11.90 -57.00-180.00   91
  2  ω    -16.00  76.00   1.00    2.00    --   11.90  77.00  90.00   92
  3  ω    -13.00  83.00   1.00    2.00    --   11.90  57.00 -30.00   96
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2963
_reflns_number_total             3822
_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 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         0.186
_refine_diff_density_min         -0.228
_refine_diff_density_rms         0.042
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     266
_refine_ls_number_reflns         3822
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0616
_refine_ls_R_factor_gt           0.0446
_refine_ls_restrained_S_all      1.056
_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)+(0.0525P)²+0.0148P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1039
_refine_ls_wR_factor_ref         0.1128
_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 C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C8(H8), C16(H16), C18(H18), C20(H20), C22(H22), C23(H23),
 C24(H24)
2.b X=CH2 refined with riding coordinates:
 C17(H17A,H17B)
2.c Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C14(H14A,H14B,
 H14C)
;
_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
Cl1 Cl 0.62062(6) 0.50757(5) 0.28093(5) 0.04442(18) Uani 1 1 d . . . . .
O1 O 0.95787(14) 0.72619(13) 0.61423(12) 0.0406(4) Uani 1 1 d . . . . .
N1 N 0.73726(17) 0.44794(14) 0.52738(14) 0.0318(4) Uani 1 1 d . . . . .
N2 N 0.3912(2) 0.8480(2) 1.11814(18) 0.0593(6) Uani 1 1 d . . . . .
C1 C 0.77336(19) 0.80121(17) 0.41064(16) 0.0281(4) Uani 1 1 d . . . . .
C2 C 0.7292(2) 0.83750(18) 0.30207(17) 0.0343(5) Uani 1 1 d . . . . .
H2 H 0.729930 0.925761 0.253247 0.041 Uiso 1 1 calc R U . . .
C3 C 0.6836(2) 0.74742(18) 0.26301(17) 0.0347(5) Uani 1 1 d . . . . .
H3 H 0.654384 0.776382 0.190001 0.042 Uiso 1 1 calc R U . . .
C4 C 0.6820(2) 0.61504(18) 0.33282(17) 0.0303(4) Uani 1 1 d . . . . .
C5 C 0.72857(19) 0.57301(17) 0.44109(16) 0.0273(4) Uani 1 1 d . . . . .
C6 C 0.77574(19) 0.66495(17) 0.48139(16) 0.0266(4) Uani 1 1 d . . . . .
C7 C 0.81118(19) 0.58845(17) 0.59731(16) 0.0294(4) Uani 1 1 d . . . . .
C8 C 0.7847(2) 0.45982(18) 0.61902(17) 0.0338(5) Uani 1 1 d . . . . .
H8 H 0.797758 0.389716 0.688251 0.041 Uiso 1 1 calc R U . . .
C9 C 0.8759(2) 0.63482(18) 0.67141(17) 0.0300(4) Uani 1 1 d . . . . .
C10 C 0.8404(2) 0.56775(18) 0.82072(17) 0.0342(5) Uani 1 1 d . . . . .
C11 C 0.6815(2) 0.5325(2) 0.88979(17) 0.0380(5) Uani 1 1 d . . . . .
H11A H 0.620901 0.608402 0.866560 0.057 Uiso 1 1 calc R U . . .
H11B H 0.660554 0.503385 0.982769 0.057 Uiso 1 1 calc R U . . .
H11C H 0.663409 0.463501 0.863409 0.057 Uiso 1 1 calc R U . . .
C12 C 0.8718(3) 0.6653(2) 0.87779(19) 0.0542(6) Uani 1 1 d . . . . .
H12A H 0.971969 0.686482 0.836986 0.081 Uiso 1 1 calc R U . . .
H12B H 0.850664 0.626183 0.970363 0.081 Uiso 1 1 calc R U . . .
H12C H 0.812457 0.744010 0.861544 0.081 Uiso 1 1 calc R U . . .
C13 C 0.9412(2) 0.4443(2) 0.8428(2) 0.0511(6) Uani 1 1 d . . . . .
H13A H 0.920538 0.381677 0.810036 0.077 Uiso 1 1 calc R U . . .
H13B H 0.925529 0.406064 0.934683 0.077 Uiso 1 1 calc R U . . .
H13C H 1.040087 0.468420 0.797460 0.077 Uiso 1 1 calc R U . . .
C14 C 0.7059(2) 0.32019(18) 0.52640(19) 0.0399(5) Uani 1 1 d . . . . .
H14A H 0.610355 0.324502 0.522614 0.060 Uiso 1 1 calc R U . . .
H14B H 0.711539 0.253461 0.604595 0.060 Uiso 1 1 calc R U . . .
H14C H 0.775219 0.299235 0.451362 0.060 Uiso 1 1 calc R U . . .
C15 C 0.8123(2) 0.90790(17) 0.44690(17) 0.0301(4) Uani 1 1 d . . . . .
C16 C 0.9457(2) 0.97755(19) 0.35758(19) 0.0397(5) Uani 1 1 d . . . . .
H16 H 0.967270 1.046251 0.378160 0.048 Uiso 1 1 calc R U . . .
C17 C 1.0374(2) 0.9517(2) 0.2513(2) 0.0534(6) Uani 1 1 d . . . . .
H17A H 1.020430 0.883873 0.226769 0.064 Uiso 1 1 calc R U . . .
H17B H 1.118865 1.001284 0.201081 0.064 Uiso 1 1 calc R U . . .
C18 C 0.7317(2) 0.94516(17) 0.55237(17) 0.0322(5) Uani 1 1 d . . . . .
H18 H 0.768240 1.012850 0.563067 0.039 Uiso 1 1 calc R U . . .
C19 C 0.5943(2) 0.89501(17) 0.65361(17) 0.0298(4) Uani 1 1 d . . . . .
C20 C 0.5641(2) 0.90147(17) 0.77999(17) 0.0340(5) Uani 1 1 d . . . . .
H20 H 0.630348 0.938071 0.797209 0.041 Uiso 1 1 calc R U . . .
C21 C 0.4364(2) 0.85394(18) 0.88036(17) 0.0351(5) Uani 1 1 d . . . . .
C22 C 0.3321(2) 0.80500(18) 0.85525(18) 0.0374(5) Uani 1 1 d . . . . .
H22 H 0.246269 0.774328 0.921808 0.045 Uiso 1 1 calc R U . . .
C23 C 0.3584(2) 0.80283(18) 0.72980(18) 0.0373(5) Uani 1 1 d . . . . .
H23 H 0.288481 0.772464 0.711529 0.045 Uiso 1 1 calc R U . . .
C24 C 0.4873(2) 0.84519(17) 0.63096(17) 0.0333(5) Uani 1 1 d . . . . .
H24 H 0.503485 0.840619 0.547853 0.040 Uiso 1 1 calc R U . . .
C25 C 0.4110(2) 0.8533(2) 1.0127(2) 0.0437(5) Uani 1 1 d . . . . .


_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
Cl1 C4 1.7486(18) . ?
O1 C9 1.225(2) . ?
N1 C5 1.394(2) . ?
N1 C8 1.355(2) . ?
N1 C14 1.471(2) . ?
N2 C25 1.142(2) . ?
C1 C2 1.391(2) . ?
C1 C6 1.425(2) . ?
C1 C15 1.501(2) . ?
C2 H2 0.9300 . ?
C2 C3 1.397(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.385(3) . ?
C4 C5 1.398(2) . ?
C5 C6 1.433(2) . ?
C6 C7 1.450(2) . ?
C7 C8 1.381(2) . ?
C7 C9 1.483(2) . ?
C8 H8 0.9300 . ?
C9 C10 1.552(2) . ?
C10 C11 1.529(3) . ?
C10 C12 1.543(3) . ?
C10 C13 1.544(3) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C16 1.477(3) . ?
C15 C18 1.342(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.320(3) . ?
C17 H17A 0.9300 . ?
C17 H17B 0.9300 . ?
C18 H18 0.9300 . ?
C18 C19 1.471(3) . ?
C19 C20 1.402(2) . ?
C19 C24 1.406(2) . ?
C20 H20 0.9300 . ?
C20 C21 1.394(3) . ?
C21 C22 1.394(3) . ?
C21 C25 1.451(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.382(3) . ?
C23 H23 0.9300 . ?
C23 C24 1.383(3) . ?
C24 H24 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
C5 N1 C14 129.60(15) . . ?
C8 N1 C5 107.96(14) . . ?
C8 N1 C14 122.44(14) . . ?
C2 C1 C6 117.48(16) . . ?
C2 C1 C15 118.01(15) . . ?
C6 C1 C15 124.50(15) . . ?
C1 C2 H2 118.5 . . ?
C1 C2 C3 122.99(17) . . ?
C3 C2 H2 118.5 . . ?
C2 C3 H3 119.9 . . ?
C4 C3 C2 120.13(17) . . ?
C4 C3 H3 119.9 . . ?
C3 C4 Cl1 117.97(14) . . ?
C3 C4 C5 119.14(16) . . ?
C5 C4 Cl1 122.88(14) . . ?
N1 C5 C4 130.84(16) . . ?
N1 C5 C6 108.20(14) . . ?
C4 C5 C6 120.96(16) . . ?
C1 C6 C5 119.27(15) . . ?
C1 C6 C7 134.76(16) . . ?
C5 C6 C7 105.91(15) . . ?
C6 C7 C9 127.66(16) . . ?
C8 C7 C6 106.02(15) . . ?
C8 C7 C9 126.10(15) . . ?
N1 C8 C7 111.91(15) . . ?
N1 C8 H8 124.0 . . ?
C7 C8 H8 124.0 . . ?
O1 C9 C7 119.73(15) . . ?
O1 C9 C10 120.06(15) . . ?
C7 C9 C10 120.21(15) . . ?
C11 C10 C9 112.06(14) . . ?
C11 C10 C12 108.56(17) . . ?
C11 C10 C13 110.87(16) . . ?
C12 C10 C9 107.74(15) . . ?
C12 C10 C13 108.70(17) . . ?
C13 C10 C9 108.80(17) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N1 C14 H14A 109.5 . . ?
N1 C14 H14B 109.5 . . ?
N1 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 C1 117.04(17) . . ?
C18 C15 C1 124.03(16) . . ?
C18 C15 C16 118.90(17) . . ?
C15 C16 H16 116.9 . . ?
C17 C16 C15 126.29(19) . . ?
C17 C16 H16 116.9 . . ?
C16 C17 H17A 120.0 . . ?
C16 C17 H17B 120.0 . . ?
H17A C17 H17B 120.0 . . ?
C15 C18 H18 115.2 . . ?
C15 C18 C19 129.70(17) . . ?
C19 C18 H18 115.2 . . ?
C20 C19 C18 118.54(16) . . ?
C20 C19 C24 117.21(17) . . ?
C24 C19 C18 124.20(16) . . ?
C19 C20 H20 119.4 . . ?
C21 C20 C19 121.10(17) . . ?
C21 C20 H20 119.4 . . ?
C20 C21 C25 120.46(18) . . ?
C22 C21 C20 120.43(17) . . ?
C22 C21 C25 119.10(18) . . ?
C21 C22 H22 120.6 . . ?
C23 C22 C21 118.86(18) . . ?
C23 C22 H22 120.6 . . ?
C22 C23 H23 119.5 . . ?
C22 C23 C24 120.94(18) . . ?
C24 C23 H23 119.5 . . ?
C19 C24 H24 119.3 . . ?
C23 C24 C19 121.34(17) . . ?
C23 C24 H24 119.3 . . ?
N2 C25 C21 177.6(2) . . ?

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
Cl1 C4 C5 N1 -0.2(3) . . . . ?
Cl1 C4 C5 C6 -178.95(14) . . . . ?
O1 C9 C10 C11 140.88(19) . . . . ?
O1 C9 C10 C12 21.5(3) . . . . ?
O1 C9 C10 C13 -96.2(2) . . . . ?
N1 C5 C6 C1 -178.31(15) . . . . ?
N1 C5 C6 C7 -0.8(2) . . . . ?
C1 C2 C3 C4 -0.4(3) . . . . ?
C1 C6 C7 C8 177.1(2) . . . . ?
C1 C6 C7 C9 -8.1(3) . . . . ?
C1 C15 C16 C17 -2.8(3) . . . . ?
C1 C15 C18 C19 0.3(3) . . . . ?
C2 C1 C6 C5 -2.1(3) . . . . ?
C2 C1 C6 C7 -178.78(19) . . . . ?
C2 C1 C15 C16 -69.3(2) . . . . ?
C2 C1 C15 C18 108.8(2) . . . . ?
C2 C3 C4 Cl1 178.80(15) . . . . ?
C2 C3 C4 C5 -1.0(3) . . . . ?
C3 C4 C5 N1 179.65(18) . . . . ?
C3 C4 C5 C6 0.9(3) . . . . ?
C4 C5 C6 C1 0.7(3) . . . . ?
C4 C5 C6 C7 178.27(16) . . . . ?
C5 N1 C8 C7 -1.0(2) . . . . ?
C5 C6 C7 C8 0.1(2) . . . . ?
C5 C6 C7 C9 174.86(18) . . . . ?
C6 C1 C2 C3 2.0(3) . . . . ?
C6 C1 C15 C16 112.0(2) . . . . ?
C6 C1 C15 C18 -69.9(3) . . . . ?
C6 C7 C8 N1 0.5(2) . . . . ?
C6 C7 C9 O1 -30.2(3) . . . . ?
C6 C7 C9 C10 149.99(18) . . . . ?
C7 C9 C10 C11 -39.3(2) . . . . ?
C7 C9 C10 C12 -158.63(18) . . . . ?
C7 C9 C10 C13 83.7(2) . . . . ?
C8 N1 C5 C4 -177.80(19) . . . . ?
C8 N1 C5 C6 1.1(2) . . . . ?
C8 C7 C9 O1 143.5(2) . . . . ?
C8 C7 C9 C10 -36.3(3) . . . . ?
C9 C7 C8 N1 -174.28(17) . . . . ?
C14 N1 C5 C4 3.3(3) . . . . ?
C14 N1 C5 C6 -177.85(18) . . . . ?
C14 N1 C8 C7 178.00(17) . . . . ?
C15 C1 C2 C3 -176.79(18) . . . . ?
C15 C1 C6 C5 176.62(17) . . . . ?
C15 C1 C6 C7 -0.1(3) . . . . ?
C15 C18 C19 C20 150.62(19) . . . . ?
C15 C18 C19 C24 -32.0(3) . . . . ?
C16 C15 C18 C19 178.39(16) . . . . ?
C18 C15 C16 C17 178.9(2) . . . . ?
C18 C19 C20 C21 -179.18(17) . . . . ?
C18 C19 C24 C23 -178.17(17) . . . . ?
C19 C20 C21 C22 -3.4(3) . . . . ?
C19 C20 C21 C25 175.87(17) . . . . ?
C20 C19 C24 C23 -0.8(3) . . . . ?
C20 C21 C22 C23 0.9(3) . . . . ?
C21 C22 C23 C24 1.6(3) . . . . ?
C22 C23 C24 C19 -1.7(3) . . . . ?
C24 C19 C20 C21 3.3(3) . . . . ?
C25 C21 C22 C23 -178.40(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
;
