# 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. 
# 
#######################################################################

data_3n
_database_code_depnum_ccdc_archive 'CCDC 2099925'
loop_
_audit_author_name
_audit_author_address
'Xuesen Fan'
;Henan Normal University
China
;
_audit_update_record             
;
2021-07-28 deposited with the CCDC.	2021-09-13 downloaded from the CCDC.
;
_audit_creation_date             2020-12-16
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C19 H20 N2 O'
_chemical_formula_sum            'C19 H20 N2 O'
_chemical_formula_weight         292.37
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C1 H1 O1 N1'
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                   9.7662(2)
_cell_length_b                   9.2325(2)
_cell_length_c                   18.7919(4)
_cell_angle_alpha                90
_cell_angle_beta                 101.473(2)
_cell_angle_gamma                90
_cell_volume                     1660.54(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3347
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      70.7670
_cell_measurement_theta_min      4.7610
_shelx_estimated_absorpt_T_max   0.945
_shelx_estimated_absorpt_T_min   0.894
_exptl_absorpt_coefficient_mu    0.571
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.52620
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.169
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0189
_diffrn_reflns_av_unetI/netI     0.0258
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            6499
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.365
_diffrn_reflns_theta_min         4.764
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0521
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -19.00  21.00   1.00    1.00    --  -35.62  15.00 171.00   40
  2  ω   -104.00  -7.00   1.00    1.00    --  -35.62 -15.00   1.00   97
  3  ω     -5.00  20.00   1.00    1.00    --   35.62 -15.00   1.00   25
  4  ω     28.00  53.00   1.00    1.00    --   35.62  15.00 171.00   25
  5  ω    100.00 174.00   1.00    3.62    --  107.12  15.00 171.00   74
  6  ω     40.00  94.00   1.00    3.62    --  107.12 -15.00   1.00   54
  7  ω     12.00 103.00   1.00    1.00    --   35.62  77.00 -30.00   91
  8  ω     59.00  99.00   1.00    1.00    --   35.62 178.00 -30.00   40
  9  ω      2.00  67.00   1.00    1.00    --   35.62 -99.00 -30.00   65
 10  ω    100.00 127.00   1.00    3.62    --  107.12  61.00  30.00   27
 11  ω     81.00 112.00   1.00    3.62    --  107.12-111.00 150.00   31
 12  ω     79.00 105.00   1.00    3.62    --  107.12 -95.00-120.00   26
 13  ω     41.00 125.00   1.00    3.62    --  107.12 -45.00 -60.00   84
 14  ω     43.00 125.00   1.00    3.62    --  107.12 -45.00-150.00   82
 15  ω     99.00 173.00   1.00    3.62    --  107.12  61.00 -90.00   74
 16  ω     49.00 108.00   1.00    3.62    --  107.12 -95.00   0.00   59
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0994170000
_diffrn_orient_matrix_UB_12      -0.0016376000
_diffrn_orient_matrix_UB_13      0.0747621000
_diffrn_orient_matrix_UB_21      0.1239307000
_diffrn_orient_matrix_UB_22      -0.0335808000
_diffrn_orient_matrix_UB_23      -0.0368843000
_diffrn_orient_matrix_UB_31      0.0264179000
_diffrn_orient_matrix_UB_32      0.1633584000
_diffrn_orient_matrix_UB_33      -0.0067975000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2594
_reflns_number_total             3143
_reflns_odcompleteness_completeness 99.94
_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 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.53 (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         0.175
_refine_diff_density_min         -0.262
_refine_diff_density_rms         0.064
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     203
_refine_ls_number_reflns         3143
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0666
_refine_ls_R_factor_gt           0.0542
_refine_ls_restrained_S_all      1.070
_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)+(0.0739P)²+0.2190P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1354
_refine_ls_wR_factor_ref         0.1442
_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:
 C2(H2), C3(H3), C4(H4), C5(H5), C14(H14), C15(H15), C17(H17), C18(H18)
2.b Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C19(H19A,H19B,H19C)
;
_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 0.86220(13) 0.13718(13) 0.55448(7) 0.0587(3) Uani 1 1 d . . . . .
N1 N 0.72950(14) 0.34237(13) 0.54852(7) 0.0443(3) Uani 1 1 d . . . . .
N2 N 0.65957(16) 0.47871(16) 0.63334(7) 0.0542(4) Uani 1 1 d . . . . .
C1 C 0.72150(17) 0.56725(18) 0.58898(9) 0.0487(4) Uani 1 1 d . . . . .
C2 C 0.7450(2) 0.71597(19) 0.59255(11) 0.0627(5) Uani 1 1 d . . . . .
H2 H 0.717761 0.771907 0.628482 0.075 Uiso 1 1 calc R U . . .
C3 C 0.8095(2) 0.77766(19) 0.54152(12) 0.0644(5) Uani 1 1 d . . . . .
H3 H 0.826029 0.876927 0.543002 0.077 Uiso 1 1 calc R U . . .
C4 C 0.85073(19) 0.69497(19) 0.48761(11) 0.0605(5) Uani 1 1 d . . . . .
H4 H 0.893843 0.740442 0.453746 0.073 Uiso 1 1 calc R U . . .
C5 C 0.82943(18) 0.54749(19) 0.48301(10) 0.0549(4) Uani 1 1 d . . . . .
H5 H 0.857213 0.492129 0.447037 0.066 Uiso 1 1 calc R U . . .
C6 C 0.76431(15) 0.48590(16) 0.53491(8) 0.0434(3) Uani 1 1 d . . . . .
C7 C 0.66743(16) 0.34725(17) 0.60955(8) 0.0445(4) Uani 1 1 d . . . . .
C8 C 0.60569(18) 0.21718(19) 0.64139(9) 0.0527(4) Uani 1 1 d . . . . .
C9 C 0.5344(2) 0.1140(2) 0.58141(11) 0.0684(5) Uani 1 1 d . . . . .
H9A H 0.468665 0.167134 0.546203 0.103 Uiso 1 1 calc R U . . .
H9B H 0.486408 0.039392 0.602248 0.103 Uiso 1 1 calc R U . . .
H9C H 0.603641 0.071025 0.558218 0.103 Uiso 1 1 calc R U . . .
C10 C 0.7196(3) 0.1359(3) 0.69437(11) 0.0794(6) Uani 1 1 d . . . . .
H10A H 0.787059 0.097705 0.668520 0.119 Uiso 1 1 calc R U . . .
H10B H 0.678102 0.057798 0.716378 0.119 Uiso 1 1 calc R U . . .
H10C H 0.764951 0.201238 0.731390 0.119 Uiso 1 1 calc R U . . .
C11 C 0.4964(3) 0.2740(3) 0.68279(13) 0.0841(7) Uani 1 1 d . . . . .
H11A H 0.539660 0.341408 0.719342 0.126 Uiso 1 1 calc R U . . .
H11B H 0.458248 0.194499 0.705395 0.126 Uiso 1 1 calc R U . . .
H11C H 0.422894 0.321821 0.649566 0.126 Uiso 1 1 calc R U . . .
C12 C 0.78530(16) 0.22072(16) 0.51630(9) 0.0444(4) Uani 1 1 d . . . . .
C13 C 0.74347(16) 0.20613(17) 0.43695(9) 0.0465(4) Uani 1 1 d . . . . .
C14 C 0.81427(19) 0.1074(2) 0.40144(10) 0.0576(4) Uani 1 1 d . . . . .
H14 H 0.890395 0.056615 0.427315 0.069 Uiso 1 1 calc R U . . .
C15 C 0.7713(2) 0.0850(2) 0.32787(12) 0.0725(6) Uani 1 1 d . . . . .
H15 H 0.819383 0.019053 0.304543 0.087 Uiso 1 1 calc R U . . .
C16 C 0.6575(2) 0.1589(3) 0.28776(11) 0.0708(6) Uani 1 1 d . . . . .
C17 C 0.5894(2) 0.2579(2) 0.32331(10) 0.0661(5) Uani 1 1 d . . . . .
H17 H 0.513979 0.309325 0.297191 0.079 Uiso 1 1 calc R U . . .
C18 C 0.63092(18) 0.2821(2) 0.39681(9) 0.0541(4) Uani 1 1 d . . . . .
H18 H 0.583602 0.349533 0.419704 0.065 Uiso 1 1 calc R U . . .
C19 C 0.6076(4) 0.1289(4) 0.20748(12) 0.1117(11) Uani 1 1 d . . . . .
H19A H 0.524329 0.071046 0.200495 0.168 Uiso 1 1 calc R U . . .
H19B H 0.678979 0.077784 0.189199 0.168 Uiso 1 1 calc R U . . .
H19C H 0.587946 0.218879 0.181885 0.168 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 C12 1.2080(19) . ?
N1 C6 1.4041(19) . ?
N1 C7 1.401(2) . ?
N1 C12 1.4340(19) . ?
N2 C1 1.389(2) . ?
N2 C7 1.301(2) . ?
C1 C2 1.392(2) . ?
C1 C6 1.393(2) . ?
C2 H2 0.9300 . ?
C2 C3 1.372(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.391(3) . ?
C4 H4 0.9300 . ?
C4 C5 1.378(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.388(2) . ?
C7 C8 1.519(2) . ?
C8 C9 1.533(3) . ?
C8 C10 1.534(3) . ?
C8 C11 1.533(3) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C13 1.472(2) . ?
C13 C14 1.392(2) . ?
C13 C18 1.393(2) . ?
C14 H14 0.9300 . ?
C14 C15 1.378(3) . ?
C15 H15 0.9300 . ?
C15 C16 1.391(3) . ?
C16 C17 1.379(3) . ?
C16 C19 1.516(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.378(2) . ?
C18 H18 0.9300 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 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
C6 N1 C12 122.43(12) . . ?
C7 N1 C6 106.19(12) . . ?
C7 N1 C12 129.32(13) . . ?
C7 N2 C1 106.28(13) . . ?
N2 C1 C2 129.73(16) . . ?
N2 C1 C6 110.50(14) . . ?
C2 C1 C6 119.78(16) . . ?
C1 C2 H2 121.0 . . ?
C3 C2 C1 118.06(18) . . ?
C3 C2 H2 121.0 . . ?
C2 C3 H3 119.3 . . ?
C2 C3 C4 121.41(16) . . ?
C4 C3 H3 119.3 . . ?
C3 C4 H4 119.1 . . ?
C5 C4 C3 121.76(17) . . ?
C5 C4 H4 119.1 . . ?
C4 C5 H5 121.8 . . ?
C4 C5 C6 116.47(17) . . ?
C6 C5 H5 121.8 . . ?
C1 C6 N1 104.91(13) . . ?
C5 C6 N1 132.55(15) . . ?
C5 C6 C1 122.53(15) . . ?
N1 C7 C8 124.58(14) . . ?
N2 C7 N1 112.09(13) . . ?
N2 C7 C8 123.17(14) . . ?
C7 C8 C9 111.06(14) . . ?
C7 C8 C10 110.44(15) . . ?
C7 C8 C11 107.47(16) . . ?
C9 C8 C10 109.75(17) . . ?
C9 C8 C11 109.02(18) . . ?
C11 C8 C10 109.05(17) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O1 C12 N1 119.54(15) . . ?
O1 C12 C13 123.90(15) . . ?
N1 C12 C13 116.56(13) . . ?
C14 C13 C12 118.77(15) . . ?
C14 C13 C18 118.96(16) . . ?
C18 C13 C12 122.18(15) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 C13 119.86(18) . . ?
C15 C14 H14 120.1 . . ?
C14 C15 H15 119.3 . . ?
C14 C15 C16 121.39(19) . . ?
C16 C15 H15 119.3 . . ?
C15 C16 C19 120.9(2) . . ?
C17 C16 C15 118.23(19) . . ?
C17 C16 C19 120.8(2) . . ?
C16 C17 H17 119.4 . . ?
C18 C17 C16 121.3(2) . . ?
C18 C17 H17 119.4 . . ?
C13 C18 H18 119.9 . . ?
C17 C18 C13 120.28(17) . . ?
C17 C18 H18 119.9 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 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
O1 C12 C13 C14 -12.1(2) . . . . ?
O1 C12 C13 C18 164.44(16) . . . . ?
N1 C7 C8 C9 -36.3(2) . . . . ?
N1 C7 C8 C10 85.7(2) . . . . ?
N1 C7 C8 C11 -155.50(17) . . . . ?
N1 C12 C13 C14 167.96(14) . . . . ?
N1 C12 C13 C18 -15.5(2) . . . . ?
N2 C1 C2 C3 179.78(18) . . . . ?
N2 C1 C6 N1 -1.39(17) . . . . ?
N2 C1 C6 C5 179.97(15) . . . . ?
N2 C7 C8 C9 138.66(18) . . . . ?
N2 C7 C8 C10 -99.3(2) . . . . ?
N2 C7 C8 C11 19.5(2) . . . . ?
C1 N2 C7 N1 -1.74(19) . . . . ?
C1 N2 C7 C8 -177.30(14) . . . . ?
C1 C2 C3 C4 -0.1(3) . . . . ?
C2 C1 C6 N1 178.04(16) . . . . ?
C2 C1 C6 C5 -0.6(3) . . . . ?
C2 C3 C4 C5 -0.3(3) . . . . ?
C3 C4 C5 C6 0.2(3) . . . . ?
C4 C5 C6 N1 -177.95(16) . . . . ?
C4 C5 C6 C1 0.3(2) . . . . ?
C6 N1 C7 N2 0.91(18) . . . . ?
C6 N1 C7 C8 176.39(14) . . . . ?
C6 N1 C12 O1 114.27(17) . . . . ?
C6 N1 C12 C13 -65.80(19) . . . . ?
C6 C1 C2 C3 0.5(3) . . . . ?
C7 N1 C6 C1 0.33(16) . . . . ?
C7 N1 C6 C5 178.78(17) . . . . ?
C7 N1 C12 O1 -47.0(2) . . . . ?
C7 N1 C12 C13 132.92(16) . . . . ?
C7 N2 C1 C2 -177.40(18) . . . . ?
C7 N2 C1 C6 1.96(19) . . . . ?
C12 N1 C6 C1 -164.69(14) . . . . ?
C12 N1 C6 C5 13.8(3) . . . . ?
C12 N1 C7 N2 164.53(15) . . . . ?
C12 N1 C7 C8 -20.0(2) . . . . ?
C12 C13 C14 C15 175.84(16) . . . . ?
C12 C13 C18 C17 -175.56(16) . . . . ?
C13 C14 C15 C16 -0.2(3) . . . . ?
C14 C13 C18 C17 1.0(3) . . . . ?
C14 C15 C16 C17 1.1(3) . . . . ?
C14 C15 C16 C19 -177.5(2) . . . . ?
C15 C16 C17 C18 -1.0(3) . . . . ?
C16 C17 C18 C13 -0.1(3) . . . . ?
C18 C13 C14 C15 -0.8(3) . . . . ?
C19 C16 C17 C18 177.7(2) . . . . ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_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 1.516
_oxdiff_exptl_absorpt_empirical_full_min 0.381
