# Supplementary Information (SI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2026

####################################################################### 
# 
# 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_lixiy_0320_auto
_database_code_depnum_ccdc_archive 'CCDC 2394296'
loop_
_audit_author_name
_audit_author_address
'XP Hui'
;Lanzhou University
China
;
_audit_update_record             
;
2024-10-28 deposited with the CCDC.	2026-01-19 downloaded from the CCDC.
;
_audit_creation_date             2024-05-24
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C17 H15 N2 O'
_chemical_formula_sum            'C17 H15 N2 O'
_chemical_formula_weight         263.31
_chemical_absolute_configuration ad
_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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   8.6196(3)
_cell_length_b                   10.1794(2)
_cell_length_c                   16.4222(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1440.92(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4563
_cell_measurement_temperature    300.61(10)
_cell_measurement_theta_max      73.4410
_cell_measurement_theta_min      5.0720
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.607
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.70082
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.113a (Rigaku Oxford Diffraction, 2021)
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    1.214
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             556
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0292
_diffrn_reflns_av_unetI/netI     0.0345
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.958
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            7439
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.932
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.296
_diffrn_reflns_theta_min         5.112
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      300.61(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     63.00 116.00   0.50    0.08    --   44.44 155.00  72.00  106
  2  ω     91.00 145.00   0.50    0.31    --  109.62  32.00-152.00  108
  3  ω    -26.00  12.00   0.50    0.08    --   44.44 -19.00-180.00   76
  4  ω    -26.00  10.00   0.50    0.08    --   44.44 -37.00  60.00   72
  5  ω     49.00 100.00   0.50    0.31    --  109.62 -91.00 -90.00  102
  6  ω    -51.00 -26.00   0.50    0.31    -- -100.00  61.00   0.00   50
  7  ω    -60.00 -35.00   0.50    0.31    -- -100.00  61.00 -60.00   50
  8  ω    -54.00 -28.00   0.50    0.31    -- -100.00  45.00 -30.00   52
  9  ω    -54.00 -25.00   0.50    0.31    -- -100.00  45.00 -60.00   58
 10  ω     -7.00  27.00   0.50    0.08    --  -44.44  19.00  30.00   68
 11  ω    -54.00 -29.00   0.50    0.31    -- -100.00  45.00-120.00   50
 12  ω    -54.00 -27.00   0.50    0.31    -- -100.00  45.00-150.00   54
 13  ω    -53.00 -27.00   0.50    0.31    -- -100.00  45.00-180.00   52
 14  ω   -165.00 -98.00   0.50    0.31    -- -100.00 -91.00 -90.00  134
 15  ω   -108.00 -62.00   0.50    0.08    --  -44.44-155.00  34.00   92
 16  ω   -156.00 -90.00   0.50    0.31    -- -100.00-119.00-168.00  132
 17  ω    -92.00 -63.00   0.50    0.31    -- -100.00 125.00-180.00   58
 18  ω    -55.00 -30.00   0.50    0.31    -- -100.00 125.00-180.00   50
 19  ω     43.00  68.00   0.50    0.31    --  109.62 -61.00 150.00   50
 20  ω     75.00 101.00   0.50    0.31    --  109.62 -77.00  60.00   52
 21  ω     36.00  66.00   0.50    0.31    --  109.62 -61.00  60.00   60
 22  ω     45.00  91.00   0.50    0.31    --  109.62 -77.00-150.00   92
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1082169000
_diffrn_orient_matrix_UB_12      -0.0368971000
_diffrn_orient_matrix_UB_13      0.0710721000
_diffrn_orient_matrix_UB_21      -0.1408001000
_diffrn_orient_matrix_UB_22      0.0486064000
_diffrn_orient_matrix_UB_23      -0.0493796000
_diffrn_orient_matrix_UB_31      -0.0205331000
_diffrn_orient_matrix_UB_32      -0.1384279000
_diffrn_orient_matrix_UB_33      -0.0362473000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage         0.682
_reflns_Friedel_fraction_full    0.978
_reflns_Friedel_fraction_max     0.895
_reflns_number_gt                2492
_reflns_number_total             2816
_reflns_odcompleteness_completeness 99.47
_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 1.171.41.113a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.113a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.113a (Rigaku OD, 2021)'
_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    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.177
_refine_diff_density_min         -0.120
_refine_diff_density_rms         0.027
_refine_ls_abs_structure_details 
;
 Flack x determined using 928 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.09(16)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     190
_refine_ls_number_reflns         2816
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0427
_refine_ls_R_factor_gt           0.0379
_refine_ls_restrained_S_all      1.052
_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)+(0.0643P)²+0.0365P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1050
_refine_ls_wR_factor_ref         0.1092
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 C9-C10
 1.3 with sigma of 0.01
 C9-C11
 1.3 with sigma of 0.01
3. Others
 Fixed Sof: C11(0.6) H11A(0.6) H11B(0.6) C10(0.4) H10A(0.4) H10B(0.4)
4.a Ternary CH refined with riding coordinates:
 C8(H8)
4.b Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B)
4.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C14(H14), C15(H15), C16(H16),
 C17(H17), C18(H18)
4.d X=CH2 refined with riding coordinates:
 C11(H11A,H11B), C10(H10A,H10B)
;
_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 0.29667(19) 0.53559(14) 0.69365(11) 0.0786(5) Uani 1 1 d . . . . .
N1 N 0.5616(2) 0.66937(15) 0.65052(12) 0.0706(5) Uani 1 1 d . . . . .
N2 N 0.5425(2) 0.53907(15) 0.63024(11) 0.0638(4) Uani 1 1 d . . . . .
C1 C 0.6956(3) 0.72927(19) 0.61917(12) 0.0644(5) Uani 1 1 d . . . . .
C2 C 0.7049(3) 0.8656(2) 0.61179(16) 0.0812(6) Uani 1 1 d . . . . .
H2 H 0.621288 0.918040 0.626692 0.097 Uiso 1 1 calc R U . . .
C3 C 0.8398(4) 0.9223(2) 0.58209(18) 0.0924(8) Uani 1 1 d . . . . .
H3 H 0.845995 1.013320 0.578301 0.111 Uiso 1 1 calc R U . . .
C4 C 0.9632(4) 0.8483(3) 0.55835(16) 0.0903(8) Uani 1 1 d . . . . .
H4 H 1.052363 0.887751 0.537895 0.108 Uiso 1 1 calc R U . . .
C5 C 0.9532(3) 0.7135(3) 0.56527(16) 0.0867(7) Uani 1 1 d . . . . .
H5 H 1.036511 0.661697 0.549121 0.104 Uiso 1 1 calc R U . . .
C6 C 0.8213(3) 0.6545(2) 0.59581(14) 0.0736(5) Uani 1 1 d . . . . .
H6 H 0.817279 0.563583 0.600687 0.088 Uiso 1 1 calc R U . . .
C7 C 0.4279(3) 0.7420(2) 0.67530(14) 0.0720(6) Uani 1 1 d . . . . .
H7A H 0.366224 0.765223 0.628034 0.086 Uiso 1 1 calc R U . . .
H7B H 0.459463 0.822347 0.702335 0.086 Uiso 1 1 calc R U . . .
C8 C 0.3330(3) 0.6586(2) 0.73272(14) 0.0725(5) Uani 1 1 d . . . . .
H8 H 0.393115 0.641641 0.782264 0.087 Uiso 1 1 calc R U . . .
C9 C 0.1804(3) 0.7201(3) 0.75532(19) 0.0929(7) Uani 1 1 d D . . . .
C12 C 0.4154(2) 0.48251(18) 0.65058(12) 0.0616(5) Uani 1 1 d . . . . .
C13 C 0.3883(2) 0.34550(18) 0.62505(12) 0.0621(5) Uani 1 1 d . . . . .
C14 C 0.2766(3) 0.2691(2) 0.66306(15) 0.0721(6) Uani 1 1 d . . . . .
H14 H 0.216918 0.304413 0.704828 0.087 Uiso 1 1 calc R U . . .
C15 C 0.2539(3) 0.1399(2) 0.63885(18) 0.0851(7) Uani 1 1 d . . . . .
H15 H 0.179169 0.088909 0.664713 0.102 Uiso 1 1 calc R U . . .
C16 C 0.3405(3) 0.0869(2) 0.57726(18) 0.0859(7) Uani 1 1 d . . . . .
H16 H 0.324597 0.000350 0.561252 0.103 Uiso 1 1 calc R U . . .
C17 C 0.4506(3) 0.1619(2) 0.53930(16) 0.0822(6) Uani 1 1 d . . . . .
H17 H 0.509609 0.125824 0.497495 0.099 Uiso 1 1 calc R U . . .
C18 C 0.4750(3) 0.2910(2) 0.56251(14) 0.0727(5) Uani 1 1 d . . . . .
H18 H 0.549807 0.341227 0.536104 0.087 Uiso 1 1 calc R U . . .
C11 C 0.1585(8) 0.7899(7) 0.8181(5) 0.102(2) Uani 0.6 1 d D . P A 1
H11A H 0.239996 0.805990 0.853856 0.122 Uiso 0.6 1 calc R U P A 1
H11B H 0.060892 0.825093 0.828487 0.122 Uiso 0.6 1 calc R U P A 1
C10 C 0.155(2) 0.8324(10) 0.7827(9) 0.142(6) Uani 0.4 1 d D . P A 2
H10A H 0.237299 0.889865 0.791601 0.170 Uiso 0.4 1 calc R U P A 2
H10B H 0.054179 0.858601 0.794336 0.170 Uiso 0.4 1 calc R U P A 2


_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 C8 1.442(3) . ?
O1 C12 1.356(2) . ?
N1 N2 1.377(2) . ?
N1 C1 1.404(3) . ?
N1 C7 1.428(3) . ?
N2 C12 1.282(3) . ?
C1 C2 1.395(3) . ?
C1 C6 1.379(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.386(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.361(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.379(4) . ?
C5 H5 0.9300 . ?
C5 C6 1.380(3) . ?
C6 H6 0.9300 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C8 1.509(3) . ?
C8 H8 0.9800 . ?
C8 C9 1.503(4) . ?
C9 C11 1.266(6) . ?
C9 C10 1.247(10) . ?
C12 C13 1.475(3) . ?
C13 C14 1.386(3) . ?
C13 C18 1.386(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.388(3) . ?
C15 H15 0.9300 . ?
C15 C16 1.368(4) . ?
C16 H16 0.9300 . ?
C16 C17 1.368(4) . ?
C17 H17 0.9300 . ?
C17 C18 1.384(3) . ?
C18 H18 0.9300 . ?
C11 H11A 0.9300 . ?
C11 H11B 0.9300 . ?
C10 H10A 0.9300 . ?
C10 H10B 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
C12 O1 C8 114.49(17) . . ?
N2 N1 C1 115.33(17) . . ?
N2 N1 C7 118.08(17) . . ?
C1 N1 C7 122.93(15) . . ?
C12 N2 N1 118.13(17) . . ?
C2 C1 N1 120.8(2) . . ?
C6 C1 N1 120.61(17) . . ?
C6 C1 C2 118.6(2) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 C1 119.6(3) . . ?
C3 C2 H2 120.2 . . ?
C2 C3 H3 119.1 . . ?
C4 C3 C2 121.7(2) . . ?
C4 C3 H3 119.1 . . ?
C3 C4 H4 120.7 . . ?
C3 C4 C5 118.6(2) . . ?
C5 C4 H4 120.7 . . ?
C4 C5 H5 119.5 . . ?
C4 C5 C6 121.0(3) . . ?
C6 C5 H5 119.5 . . ?
C1 C6 C5 120.6(2) . . ?
C1 C6 H6 119.7 . . ?
C5 C6 H6 119.7 . . ?
N1 C7 H7A 109.9 . . ?
N1 C7 H7B 109.9 . . ?
N1 C7 C8 108.93(17) . . ?
H7A C7 H7B 108.3 . . ?
C8 C7 H7A 109.9 . . ?
C8 C7 H7B 109.9 . . ?
O1 C8 C7 109.14(18) . . ?
O1 C8 H8 109.3 . . ?
O1 C8 C9 106.4(2) . . ?
C7 C8 H8 109.3 . . ?
C9 C8 C7 113.2(2) . . ?
C9 C8 H8 109.3 . . ?
C11 C9 C8 124.4(4) . . ?
C10 C9 C8 128.6(10) . . ?
O1 C12 C13 113.93(17) . . ?
N2 C12 O1 126.99(17) . . ?
N2 C12 C13 119.07(18) . . ?
C14 C13 C12 120.84(19) . . ?
C14 C13 C18 118.91(18) . . ?
C18 C13 C12 120.25(18) . . ?
C13 C14 H14 120.0 . . ?
C13 C14 C15 120.1(2) . . ?
C15 C14 H14 120.0 . . ?
C14 C15 H15 119.7 . . ?
C16 C15 C14 120.6(2) . . ?
C16 C15 H15 119.7 . . ?
C15 C16 H16 120.1 . . ?
C15 C16 C17 119.7(2) . . ?
C17 C16 H16 120.1 . . ?
C16 C17 H17 119.7 . . ?
C16 C17 C18 120.6(2) . . ?
C18 C17 H17 119.7 . . ?
C13 C18 H18 119.9 . . ?
C17 C18 C13 120.1(2) . . ?
C17 C18 H18 119.9 . . ?
C9 C11 H11A 120.0 . . ?
C9 C11 H11B 120.0 . . ?
H11A C11 H11B 120.0 . . ?
C9 C10 H10A 120.0 . . ?
C9 C10 H10B 120.0 . . ?
H10A C10 H10B 120.0 . . ?

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 C8 C9 C11 146.2(5) . . . . ?
O1 C8 C9 C10 -172.0(10) . . . . ?
O1 C12 C13 C14 -18.8(3) . . . . ?
O1 C12 C13 C18 161.44(19) . . . . ?
N1 N2 C12 O1 -2.9(3) . . . . ?
N1 N2 C12 C13 176.23(17) . . . . ?
N1 C1 C2 C3 178.8(2) . . . . ?
N1 C1 C6 C5 -179.8(2) . . . . ?
N1 C7 C8 O1 -55.4(3) . . . . ?
N1 C7 C8 C9 -173.7(2) . . . . ?
N2 N1 C1 C2 158.9(2) . . . . ?
N2 N1 C1 C6 -21.7(3) . . . . ?
N2 N1 C7 C8 43.3(3) . . . . ?
N2 C12 C13 C14 162.01(19) . . . . ?
N2 C12 C13 C18 -17.8(3) . . . . ?
C1 N1 N2 C12 -173.54(18) . . . . ?
C1 N1 C7 C8 -159.3(2) . . . . ?
C1 C2 C3 C4 1.2(4) . . . . ?
C2 C1 C6 C5 -0.4(4) . . . . ?
C2 C3 C4 C5 -0.8(5) . . . . ?
C3 C4 C5 C6 -0.2(4) . . . . ?
C4 C5 C6 C1 0.8(4) . . . . ?
C6 C1 C2 C3 -0.6(4) . . . . ?
C7 N1 N2 C12 -14.4(3) . . . . ?
C7 N1 C1 C2 0.9(3) . . . . ?
C7 N1 C1 C6 -179.7(2) . . . . ?
C7 C8 C9 C11 -93.9(6) . . . . ?
C7 C8 C9 C10 -52.2(10) . . . . ?
C8 O1 C12 N2 -12.7(3) . . . . ?
C8 O1 C12 C13 168.20(18) . . . . ?
C12 O1 C8 C7 41.2(3) . . . . ?
C12 O1 C8 C9 163.7(2) . . . . ?
C12 C13 C14 C15 -179.3(2) . . . . ?
C12 C13 C18 C17 179.3(2) . . . . ?
C13 C14 C15 C16 -0.3(4) . . . . ?
C14 C13 C18 C17 -0.5(3) . . . . ?
C14 C15 C16 C17 0.1(4) . . . . ?
C15 C16 C17 C18 -0.1(4) . . . . ?
C16 C17 C18 C13 0.3(4) . . . . ?
C18 C13 C14 C15 0.5(3) . . . . ?

_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 2.038
_oxdiff_exptl_absorpt_empirical_full_min 0.432
