# Supplementary Information (SI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_preex1_auto
_database_code_depnum_ccdc_archive 'CCDC 2444821'
loop_
_audit_author_name
_audit_author_address
'Emanuele Priola'
;University of Turin
Italy
;
_audit_update_record             
;
2025-04-17 deposited with the CCDC.	2025-08-19 downloaded from the CCDC.
;
_audit_creation_date             2025-04-17
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.03.04 svn.red2d20d0 for OlexSys, GUI svn.r7188)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C19 H21 N O2'
_chemical_formula_sum            'C19 H21 N O2'
_chemical_formula_weight         295.37
_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 0.0181 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/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                   10.7494(4)
_cell_length_b                   11.1404(3)
_cell_length_c                   14.0361(5)
_cell_angle_alpha                90
_cell_angle_beta                 105.979(4)
_cell_angle_gamma                90
_cell_volume                     1615.92(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6744
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      66.2750
_cell_measurement_theta_min      4.5620
_shelx_estimated_absorpt_T_max   0.952
_shelx_estimated_absorpt_T_min   0.836
_exptl_absorpt_coefficient_mu    0.620
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.35935
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.101a (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_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.214
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             632
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0575
_diffrn_reflns_av_unetI/netI     0.0298
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            17280
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        66.848
_diffrn_reflns_theta_max         66.848
_diffrn_reflns_theta_min         4.618
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 5.1990
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     22.00 113.00   1.00   15.00    --   42.89  57.00-150.00   91
  2  ω     -6.00  63.00   1.00   15.00    --   42.89 -57.00 -90.00   69
  3  ω    -29.00  70.00   1.00   15.00    --   42.89 -57.00  60.00   99
  4  ω     51.00 123.00   1.00   15.00    --   92.50 -70.00 -81.73   72
  5  ω    134.00 177.00   1.00   15.00    --   92.50   0.00   0.00   43
  6  ω     19.00 122.00   1.00   15.00    --   92.50 -69.00  39.96  103
  7  ω     24.00  50.00   1.00   15.00    --   92.50   0.00   0.00   26
  8  ω     30.00  69.00   1.00   15.00    --   92.50 -70.00 -50.63   39
  9  ω     55.00 106.00   1.00   15.00    --   92.50 -30.00 -90.00   51
 10  ω     80.00 105.00   1.00   15.00    --   92.50 -45.00  60.00   25
 11  ω     41.00  67.00   1.00   15.00    --   92.50 -45.00-180.00   26
 12  ω     58.00 103.00   1.00   15.00    --   92.50 -70.00 123.20   45
 13  ω     19.00  58.00   1.00   15.00    --   92.50 -69.00  -9.24   39
 14  ω     71.00 118.00   1.00   15.00    --   92.50 -69.00  -9.24   47
 15  ω     64.00 146.00   1.00   15.00    --   92.50  30.00 120.00   82
 16  ω     62.00  87.00   1.00   15.00    --   92.50 -70.00 161.75   25
 17  ω     16.00 113.00   1.00   15.00    --   92.50 -30.00-180.00   97
 18  ω     89.00 115.00   1.00   15.00    --   92.50 -70.00 -50.63   26
 19  ω     65.00  91.00   1.00   15.00    --   92.50 -30.00  60.00   26
 20  ω     95.00 120.00   1.00   15.00    --   92.50 -30.00  60.00   25
 21  ω     25.00  50.00   1.00   15.00    --   92.50 -70.00  69.41   25
 22  ω     79.00 104.00   1.00   15.00    --   92.50 -70.00  69.41   25
 23  ω     67.00 102.00   1.00   15.00    --   92.50 -70.00-139.94   35
 24  ω     75.00 101.00   1.00   15.00    --   92.50 -45.00-180.00   26
 25  ω     41.00  93.00   1.00   15.00    --   92.50  15.00  30.00   52
 26  ω    104.00 148.00   1.00   15.00    --   92.50  15.00  30.00   44
 27  ω    126.00 161.00   1.00   15.00    --   92.50  61.00-150.00   35
 28  ω     31.00 121.00   1.00   15.00    --   92.50 -61.00-180.00   90
 29  ω     64.00  90.00   1.00   15.00    --   92.50 -70.00  17.55   26
 30  ω     22.00  60.00   1.00   15.00    --   92.50 -70.00 161.75   38
 31  ω     70.00  95.00   1.00   15.00    --   92.50 -70.00 170.12   25
 32  ω    120.00 149.00   1.00   15.00    --   92.50  30.00 -90.00   29
 33  ω    131.00 156.00   1.00   15.00    --   92.50  61.00 -60.00   25
 34  ω     73.00 117.00   1.00   15.00    --   92.50  61.00 120.00   44
 35  ω     72.00  97.00   1.00   15.00    --   92.50 -70.00-158.27   25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, AtlasS2, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2450
_reflns_number_total             2844
_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 1.171.42.101a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.101a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.101a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.435
_refine_diff_density_min         -0.266
_refine_diff_density_rms         0.038
_refine_ls_extinction_coef       0.0021(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     202
_refine_ls_number_reflns         2844
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0539
_refine_ls_R_factor_gt           0.0472
_refine_ls_restrained_S_all      1.036
_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)+(0.0730P)²+0.4447P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1296
_refine_ls_wR_factor_ref         0.1382
_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, All O(H) groups
2.a Secondary CH2 refined with riding coordinates:
 C12(H12A,H12B), C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B)
2.b Aromatic/amide H refined with riding coordinates:
 C19(H19), C16(H16), C17(H17), C5(H5), C18(H18), C1(H1), C2(H2A), C3(H3), C4(H4)
2.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C)
2.d Idealised tetrahedral OH refined as rotating group:
 O2(H2)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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
O2 O 0.22945(11) 0.90445(10) 0.20277(10) 0.0495(3) Uani 1 1 d . . . . .
H2 H 0.269181 0.963517 0.230109 0.074 Uiso 1 1 calc R U . . .
O1 O 0.12183(11) 0.57736(10) 0.19870(9) 0.0486(3) Uani 1 1 d . . . . .
N1 N 0.03270(12) 0.72555(12) 0.09379(9) 0.0366(3) Uani 1 1 d . . . . .
C15 C 0.31411(15) 0.82371(14) 0.18350(11) 0.0375(4) Uani 1 1 d . . . . .
C14 C 0.27006(15) 0.70765(14) 0.15556(11) 0.0356(4) Uani 1 1 d . . . . .
C19 C 0.35931(16) 0.62214(16) 0.14360(12) 0.0449(4) Uani 1 1 d . . . . .
H19 H 0.331773 0.543768 0.127299 0.054 Uiso 1 1 calc R U . . .
C13 C 0.13595(14) 0.66690(13) 0.14997(11) 0.0351(4) Uani 1 1 d . . . . .
C6 C -0.10626(15) 0.69238(15) 0.20611(12) 0.0407(4) Uani 1 1 d . . . . .
C16 C 0.44289(17) 0.85301(16) 0.19342(13) 0.0474(4) Uani 1 1 d . . . . .
H16 H 0.471295 0.931258 0.209198 0.057 Uiso 1 1 calc R U . . .
C7 C -0.10046(15) 0.69012(15) 0.09818(12) 0.0414(4) Uani 1 1 d . . . . .
C17 C 0.52831(18) 0.76733(18) 0.18009(15) 0.0537(5) Uani 1 1 d . . . . .
H17 H 0.614437 0.787600 0.187746 0.064 Uiso 1 1 calc R U . . .
C5 C -0.0530(2) 0.78878(18) 0.26657(13) 0.0537(5) Uani 1 1 d . . . . .
H5 H -0.010275 0.848950 0.242146 0.064 Uiso 1 1 calc R U . . .
C12 C 0.0437(2) 0.8197(2) 0.02270(14) 0.0590(5) Uani 1 1 d . . . . .
H12A H 0.129492 0.817119 0.012922 0.071 Uiso 1 1 calc R U . . .
H12B H 0.032433 0.897792 0.049822 0.071 Uiso 1 1 calc R U . . .
C9 C -0.19511(19) 0.7864(2) 0.04184(14) 0.0610(5) Uani 1 1 d . . . . .
H9A H -0.282112 0.764464 0.042732 0.073 Uiso 1 1 calc R U . . .
H9B H -0.174313 0.862269 0.076469 0.073 Uiso 1 1 calc R U . . .
C8 C -0.1360(2) 0.5678(2) 0.04915(16) 0.0618(6) Uani 1 1 d . . . . .
H8A H -0.120698 0.568081 -0.015077 0.093 Uiso 1 1 calc R U . . .
H8B H -0.225796 0.551554 0.042232 0.093 Uiso 1 1 calc R U . . .
H8C H -0.083939 0.506733 0.089477 0.093 Uiso 1 1 calc R U . . .
C18 C 0.48691(18) 0.65088(18) 0.15531(15) 0.0540(5) Uani 1 1 d . . . . .
H18 H 0.544910 0.592701 0.146690 0.065 Uiso 1 1 calc R U . . .
C1 C -0.16897(18) 0.60463(18) 0.24515(15) 0.0539(5) Uani 1 1 d . . . . .
H1 H -0.205050 0.538979 0.206419 0.065 Uiso 1 1 calc R U . . .
C10 C -0.1930(2) 0.8036(3) -0.06550(15) 0.0778(7) Uani 1 1 d . . . . .
H10A H -0.241309 0.739344 -0.105797 0.093 Uiso 1 1 calc R U . . .
H10B H -0.234687 0.878964 -0.090277 0.093 Uiso 1 1 calc R U . . .
C2 C -0.1786(2) 0.6135(2) 0.34170(18) 0.0719(6) Uani 1 1 d . . . . .
H2A H -0.221263 0.553835 0.366780 0.086 Uiso 1 1 calc R U . . .
C11 C -0.0548(2) 0.8041(3) -0.07455(16) 0.0761(7) Uani 1 1 d . . . . .
H11A H -0.038614 0.729059 -0.104067 0.091 Uiso 1 1 calc R U . . .
H11B H -0.045796 0.868661 -0.118536 0.091 Uiso 1 1 calc R U . . .
C3 C -0.1261(3) 0.7091(3) 0.40016(16) 0.0765(7) Uani 1 1 d . . . . .
H3 H -0.133247 0.714852 0.464551 0.092 Uiso 1 1 calc R U . . .
C4 C -0.0629(2) 0.7963(2) 0.36284(15) 0.0702(6) Uani 1 1 d . . . . .
H4 H -0.026312 0.861127 0.402409 0.084 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
O2 H2 0.8200 . ?
O2 C15 1.3586(19) . ?
O1 C13 1.2422(19) . ?
N1 C13 1.341(2) . ?
N1 C7 1.502(2) . ?
N1 C12 1.475(2) . ?
C15 C14 1.396(2) . ?
C15 C16 1.391(2) . ?
C14 C19 1.395(2) . ?
C14 C13 1.493(2) . ?
C19 H19 0.9300 . ?
C19 C18 1.374(2) . ?
C6 C7 1.533(2) . ?
C6 C5 1.390(3) . ?
C6 C1 1.383(2) . ?
C16 H16 0.9300 . ?
C16 C17 1.373(3) . ?
C7 C9 1.539(2) . ?
C7 C8 1.528(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.385(3) . ?
C5 H5 0.9300 . ?
C5 C4 1.387(3) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C11 1.490(3) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.525(3) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C18 H18 0.9300 . ?
C1 H1 0.9300 . ?
C1 C2 1.391(3) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.525(3) . ?
C2 H2A 0.9300 . ?
C2 C3 1.368(4) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C3 H3 0.9300 . ?
C3 C4 1.369(3) . ?
C4 H4 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
C15 O2 H2 109.5 . . ?
C13 N1 C7 119.44(13) . . ?
C13 N1 C12 122.48(14) . . ?
C12 N1 C7 117.97(13) . . ?
O2 C15 C14 118.38(14) . . ?
O2 C15 C16 121.82(14) . . ?
C16 C15 C14 119.78(15) . . ?
C15 C14 C13 122.99(14) . . ?
C19 C14 C15 118.38(14) . . ?
C19 C14 C13 118.19(14) . . ?
C14 C19 H19 119.2 . . ?
C18 C19 C14 121.58(16) . . ?
C18 C19 H19 119.2 . . ?
O1 C13 N1 120.54(14) . . ?
O1 C13 C14 118.54(13) . . ?
N1 C13 C14 120.92(13) . . ?
C5 C6 C7 119.59(15) . . ?
C1 C6 C7 122.45(16) . . ?
C1 C6 C5 117.87(16) . . ?
C15 C16 H16 119.7 . . ?
C17 C16 C15 120.51(16) . . ?
C17 C16 H16 119.7 . . ?
N1 C7 C6 109.54(12) . . ?
N1 C7 C9 107.37(14) . . ?
N1 C7 C8 109.82(13) . . ?
C6 C7 C9 107.17(13) . . ?
C8 C7 C6 112.74(15) . . ?
C8 C7 C9 110.02(16) . . ?
C16 C17 H17 119.8 . . ?
C16 C17 C18 120.34(16) . . ?
C18 C17 H17 119.8 . . ?
C6 C5 H5 119.6 . . ?
C4 C5 C6 120.81(19) . . ?
C4 C5 H5 119.6 . . ?
N1 C12 H12A 109.3 . . ?
N1 C12 H12B 109.3 . . ?
N1 C12 C11 111.58(18) . . ?
H12A C12 H12B 108.0 . . ?
C11 C12 H12A 109.3 . . ?
C11 C12 H12B 109.3 . . ?
C7 C9 H9A 108.7 . . ?
C7 C9 H9B 108.7 . . ?
H9A C9 H9B 107.6 . . ?
C10 C9 C7 114.05(17) . . ?
C10 C9 H9A 108.7 . . ?
C10 C9 H9B 108.7 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C19 C18 C17 119.33(16) . . ?
C19 C18 H18 120.3 . . ?
C17 C18 H18 120.3 . . ?
C6 C1 H1 119.6 . . ?
C6 C1 C2 120.7(2) . . ?
C2 C1 H1 119.6 . . ?
C9 C10 H10A 109.4 . . ?
C9 C10 H10B 109.4 . . ?
H10A C10 H10B 108.0 . . ?
C11 C10 C9 111.26(16) . . ?
C11 C10 H10A 109.4 . . ?
C11 C10 H10B 109.4 . . ?
C1 C2 H2A 119.6 . . ?
C3 C2 C1 120.7(2) . . ?
C3 C2 H2A 119.6 . . ?
C12 C11 C10 112.76(19) . . ?
C12 C11 H11A 109.0 . . ?
C12 C11 H11B 109.0 . . ?
C10 C11 H11A 109.0 . . ?
C10 C11 H11B 109.0 . . ?
H11A C11 H11B 107.8 . . ?
C2 C3 H3 120.4 . . ?
C2 C3 C4 119.27(19) . . ?
C4 C3 H3 120.4 . . ?
C5 C4 H4 119.7 . . ?
C3 C4 C5 120.6(2) . . ?
C3 C4 H4 119.7 . . ?

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
O2 C15 C14 C19 -174.88(14) . . . . ?
O2 C15 C14 C13 -2.6(2) . . . . ?
O2 C15 C16 C17 175.47(17) . . . . ?
N1 C7 C9 C10 57.5(2) . . . . ?
N1 C12 C11 C10 57.4(3) . . . . ?
C15 C14 C19 C18 -2.3(2) . . . . ?
C15 C14 C13 O1 -124.05(17) . . . . ?
C15 C14 C13 N1 55.8(2) . . . . ?
C15 C16 C17 C18 0.8(3) . . . . ?
C14 C15 C16 C17 -2.8(3) . . . . ?
C14 C19 C18 C17 0.3(3) . . . . ?
C19 C14 C13 O1 48.2(2) . . . . ?
C19 C14 C13 N1 -131.87(16) . . . . ?
C13 N1 C7 C6 53.76(18) . . . . ?
C13 N1 C7 C9 169.82(14) . . . . ?
C13 N1 C7 C8 -70.56(18) . . . . ?
C13 N1 C12 C11 134.38(18) . . . . ?
C13 C14 C19 C18 -174.92(16) . . . . ?
C6 C7 C9 C10 175.07(18) . . . . ?
C6 C5 C4 C3 -0.4(4) . . . . ?
C6 C1 C2 C3 -0.1(3) . . . . ?
C16 C15 C14 C19 3.5(2) . . . . ?
C16 C15 C14 C13 175.74(14) . . . . ?
C16 C17 C18 C19 0.4(3) . . . . ?
C7 N1 C13 O1 6.3(2) . . . . ?
C7 N1 C13 C14 -173.60(13) . . . . ?
C7 N1 C12 C11 -42.0(2) . . . . ?
C7 C6 C5 C4 176.56(18) . . . . ?
C7 C6 C1 C2 -176.20(17) . . . . ?
C7 C9 C10 C11 -42.9(3) . . . . ?
C5 C6 C7 N1 45.0(2) . . . . ?
C5 C6 C7 C9 -71.2(2) . . . . ?
C5 C6 C7 C8 167.59(16) . . . . ?
C5 C6 C1 C2 0.3(3) . . . . ?
C12 N1 C13 O1 -170.03(16) . . . . ?
C12 N1 C13 C14 10.1(2) . . . . ?
C12 N1 C7 C6 -129.76(16) . . . . ?
C12 N1 C7 C9 -13.70(19) . . . . ?
C12 N1 C7 C8 105.91(18) . . . . ?
C9 C10 C11 C12 -14.9(3) . . . . ?
C8 C7 C9 C10 -62.0(2) . . . . ?
C1 C6 C7 N1 -138.55(16) . . . . ?
C1 C6 C7 C9 105.27(19) . . . . ?
C1 C6 C7 C8 -15.9(2) . . . . ?
C1 C6 C5 C4 -0.1(3) . . . . ?
C1 C2 C3 C4 -0.3(4) . . . . ?
C2 C3 C4 C5 0.6(4) . . . . ?

_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 2.722
_oxdiff_exptl_absorpt_empirical_full_min 0.437
