# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 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_exp_1837
_database_code_depnum_ccdc_archive 'CCDC 2083292'
loop_
_audit_author_name
_audit_author_address
'guangzhu wang'
;East China Normal University
China
;
_audit_update_record             
;
2021-05-12 deposited with the CCDC.	2021-12-16 downloaded from the CCDC.
;
_audit_creation_date             2021-03-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C16 H18 N2 O'
_chemical_formula_sum            'C16 H18 N2 O'
_chemical_formula_weight         254.32
_chemical_absolute_configuration unk
_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                   8.6715(2)
_cell_length_b                   9.0287(3)
_cell_length_c                   17.7211(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1387.43(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    23172
_cell_measurement_temperature    169(2)
_cell_measurement_theta_max      74.1940
_cell_measurement_theta_min      4.8970
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.605
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.48099
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.32a (Rigaku Oxford Diffraction, 2017)
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    1.218
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             544
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0500
_diffrn_reflns_av_unetI/netI     0.0154
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            27293
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        67.015
_diffrn_reflns_theta_max         67.015
_diffrn_reflns_theta_min         4.991
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      169(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.985
_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  24.00   1.00    1.00    --    0.00  38.00  30.00   43
  2  ω    -13.00  53.00   1.00    1.00    --    0.00  38.00-180.00   66
  3  ω     51.00  89.00   1.00    1.00    --    0.00  38.00 120.00   38
  4  ω    -45.00 -15.00   1.00    1.00    --    0.00 -57.00-120.00   30
  5  ω     -9.00  23.00   1.00    1.00    --    0.00 -57.00-120.00   32
  6  ω    -18.00  35.00   1.00    1.00    --    0.00  38.00 120.00   53
  7  ω     28.00  89.00   1.00    1.00    --    0.00  38.00  30.00   61
  8  ω    -79.00   2.00   1.00    1.00    --    0.00 -19.00 150.00   81
  9  ω    -18.00  85.00   1.00    1.00    --    0.00  38.00 -60.00  103
 10  ω    -28.00   9.00   1.00    1.00    --    0.00  77.00 120.00   37
 11  ω     71.00 126.00   1.00    1.00    --   95.80 -77.00  90.00   55
 12  ω     65.00  90.00   1.00    1.00    --   95.80  77.00-150.00   25
 13  ω     71.00  98.00   1.00    1.00    --   95.80  61.00 -90.00   27
 14  ω     65.00  90.00   1.00    1.00    --   95.80  77.00   0.00   25
 15  ω     65.00  91.00   1.00    1.00    --   95.80  77.00 120.00   26
 16  ω     31.00  67.00   1.00    1.00    --   95.80 -77.00  90.00   36
 17  ω     73.00 169.00   1.00    1.00    --   95.80  52.00  -6.28   96
 18  ω    104.00 169.00   1.00    1.00    --   95.80  82.00 -60.00   65
 19  ω     75.00 184.00   1.00    1.00    --   95.80  45.00-120.00  109
 20  ω     79.00 128.00   1.00    1.00    --   95.80 -82.00 120.00   49
 21  ω     65.00 153.00   1.00    1.00    --   95.80  77.00 150.00   88
 22  ω     65.00  90.00   1.00    1.00    --   95.80  77.00 -60.00   25
 23  ω      7.00  84.00   1.00    1.00    --   95.80 -61.00-120.00   77
 24  ω     88.00 118.00   1.00    1.00    --   95.80 -61.00-120.00   30
 25  ω     65.00  93.00   1.00    1.00    --   95.80  77.00 -30.00   28
 26  ω     63.00  89.00   1.00    1.00    --   95.80  82.00-150.00   26
 27  ω     65.00  92.00   1.00    1.00    --   95.80  77.00-120.00   27
 28  ω     65.00  90.00   1.00    1.00    --   95.80  77.00 -90.00   25
 29  ω     31.00 128.00   1.00    1.00    --   95.80 -82.00  30.00   97
 30  ω     68.00  94.00   1.00    1.00    --   95.80  77.00  60.00   26
 31  ω     63.00  89.00   1.00    1.00    --   95.80  82.00 -60.00   26
 32  ω    115.00 179.00   1.00    1.00    --   95.80  75.00 140.12   64
 33  ω     32.00  68.00   1.00    1.00    --   95.80 -82.00 120.00   36
 34  ω     74.00 100.00   1.00    1.00    --   95.80  61.00 -30.00   26
 35  ω     76.00 111.00   1.00    1.00    --   95.80  45.00 150.00   35
 36  ω     64.00  89.00   1.00    1.00    --   95.80  82.00   0.00   25
 37  ω    118.00 179.00   1.00    1.00    --   95.80  61.00 -30.00   61
 38  ω     64.00  89.00   1.00    1.00    --   95.80  82.00 120.00   25
 39  ω     76.00 138.00   1.00    1.00    --   95.80  45.00  30.00   62
 40  ω     72.00  99.00   1.00    1.00    --   95.80  61.00 120.00   27
 41  ω    102.00 128.00   1.00    1.00    --   95.80  61.00 120.00   26
 42  ω     63.00  89.00   1.00    1.00    --   95.80  82.00 150.00   26
 43  ω     75.00 101.00   1.00    1.00    --   95.80  45.00-150.00   26
 44  ω    110.00 183.00   1.00    1.00    --   95.80  45.00-150.00   73
 45  ω     71.00 102.00   1.00    1.00    --   95.80  61.00 -60.00   31
 46  ω     73.00  98.00   1.00    1.00    --   95.80  61.00  60.00   25
 47  ω     65.00  90.00   1.00    1.00    --   95.80  77.00  30.00   25
 48  ω     31.00  57.00   1.00    1.00    --   95.80 -82.00 -60.00   26
 49  ω     83.00 127.00   1.00    1.00    --   95.80 -82.00 -60.00   44
 50  ω     63.00  88.00   1.00    1.00    --   95.80  82.00 -30.00   25
 51  ω     65.00  90.00   1.00    1.00    --   95.80  77.00  90.00   25
 52  ω    149.00 174.00   1.00    1.00    --   95.80  77.00-180.00   25
 53  ω     75.00 121.00   1.00    1.00    --   95.80  45.00  60.00   46
 54  ω     63.00  88.00   1.00    1.00    --   95.80  82.00-180.00   25
 55  ω     65.00  91.00   1.00    1.00    --   95.80  77.00-180.00   26
 56  ω     78.00 177.00   1.00    1.00    --   95.80  45.00 -90.00   99
 57  ω     67.00  93.00   1.00    1.00    --   95.80  75.00 140.12   26
 58  ω     15.00 121.00   1.00    1.00    --   95.80 -82.00-120.00  106
 59  ω     68.00 172.00   1.00    1.00    --   95.80  68.00  67.17  104
 60  ω     68.00 173.00   1.00    1.00    --   95.80  68.00  90.96  105
;
_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      -0.1438220000
_diffrn_orient_matrix_UB_12      0.0597425000
_diffrn_orient_matrix_UB_13      -0.0410725000
_diffrn_orient_matrix_UB_21      0.0794038000
_diffrn_orient_matrix_UB_22      -0.0260548000
_diffrn_orient_matrix_UB_23      -0.0766080000
_diffrn_orient_matrix_UB_31      -0.0675513000
_diffrn_orient_matrix_UB_32      -0.1576630000
_diffrn_orient_matrix_UB_33      -0.0028644000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\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         0.718
_reflns_Friedel_fraction_full    0.995
_reflns_Friedel_fraction_max     0.995
_reflns_number_gt                2421
_reflns_number_total             2443
_reflns_odcompleteness_completeness 99.93
_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 1.171.39.32a (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.165
_refine_diff_density_min         -0.095
_refine_diff_density_rms         0.022
_refine_ls_abs_structure_details 
;
 Flack x determined using 1003 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.14(7)
_refine_ls_extinction_coef       0.0152(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     174
_refine_ls_number_reflns         2443
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0252
_refine_ls_R_factor_gt           0.0250
_refine_ls_restrained_S_all      1.067
_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)+(0.0295P)²+0.1841P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0625
_refine_ls_wR_factor_ref         0.0626
_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 Ternary CH refined with riding coordinates:
 C14(H14)
2.b Secondary CH2 refined with riding coordinates:
 C11(H11A,H11B), C13(H13A,H13B), C9(H9A,H9B), C15(H15A,H15B), C16(H16A,H16B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C5(H5), C4(H4), C3(H3)
2.d Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C)
;
_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 0.73432(14) 0.64814(12) 0.35581(7) 0.0428(3) Uani 1 1 d . . . . .
N1 N 0.56421(14) 0.45369(13) 0.34449(7) 0.0273(3) Uani 1 1 d . . . . .
N2 N 0.63846(17) 0.3927(2) 0.55152(8) 0.0455(4) Uani 1 1 d . . . . .
C1 C 0.72261(17) 0.25562(16) 0.36671(8) 0.0257(3) Uani 1 1 d . . . . .
C11 C 0.87112(18) 0.41434(18) 0.45916(9) 0.0327(4) Uani 1 1 d . . . . .
H11A H 0.947707 0.340220 0.472017 0.039 Uiso 1 1 calc R . . . .
H11B H 0.918674 0.511019 0.464501 0.039 Uiso 1 1 calc R . . . .
C12 C 0.74116(18) 0.40289(18) 0.51180(9) 0.0327(3) Uani 1 1 d . . . . .
C6 C 0.57184(17) 0.29816(16) 0.34964(8) 0.0252(3) Uani 1 1 d . . . . .
C2 C 0.75879(19) 0.10759(17) 0.37441(8) 0.0316(3) Uani 1 1 d . . . . .
H2 H 0.858857 0.078397 0.386030 0.038 Uiso 1 1 calc R . . . .
C7 C 0.70499(18) 0.51624(16) 0.35715(9) 0.0293(3) Uani 1 1 d . . . . .
C13 C 0.42021(17) 0.53805(18) 0.34035(9) 0.0320(4) Uani 1 1 d . . . . .
H13A H 0.350561 0.489950 0.305224 0.038 Uiso 1 1 calc R . . . .
H13B H 0.441796 0.636643 0.321336 0.038 Uiso 1 1 calc R . . . .
C8 C 0.82079(17) 0.39237(17) 0.37607(8) 0.0275(3) Uani 1 1 d . . . . .
C14 C 0.34349(18) 0.54998(18) 0.41620(9) 0.0328(4) Uani 1 1 d . . . . .
H14 H 0.310761 0.456560 0.439365 0.039 Uiso 1 1 calc R . . . .
C5 C 0.45575(18) 0.19590(17) 0.33947(8) 0.0312(3) Uani 1 1 d . . . . .
H5 H 0.355778 0.225254 0.327747 0.037 Uiso 1 1 calc R . . . .
C9 C 0.96470(17) 0.39891(19) 0.32550(9) 0.0348(4) Uani 1 1 d . . . . .
H9A H 1.015058 0.493776 0.332759 0.042 Uiso 1 1 calc R . . . .
H9B H 1.036138 0.322325 0.341366 0.042 Uiso 1 1 calc R . . . .
C15 C 0.3980(2) 0.66769(19) 0.46912(10) 0.0390(4) Uani 1 1 d . . . . .
H15A H 0.400074 0.644571 0.522562 0.047 Uiso 1 1 calc R . . . .
H15B H 0.480078 0.732521 0.452046 0.047 Uiso 1 1 calc R . . . .
C4 C 0.49392(19) 0.04675(18) 0.34742(9) 0.0348(4) Uani 1 1 d . . . . .
H4 H 0.417760 -0.024726 0.341143 0.042 Uiso 1 1 calc R . . . .
C3 C 0.6430(2) 0.00275(17) 0.36449(9) 0.0359(4) Uani 1 1 d . . . . .
H3 H 0.665805 -0.097451 0.369340 0.043 Uiso 1 1 calc R . . . .
C16 C 0.2443(2) 0.6821(2) 0.43205(11) 0.0433(4) Uani 1 1 d . . . . .
H16A H 0.233308 0.755634 0.392481 0.052 Uiso 1 1 calc R . . . .
H16B H 0.153291 0.667671 0.463008 0.052 Uiso 1 1 calc R . . . .
C10 C 0.9305(2) 0.3789(3) 0.24213(10) 0.0499(5) Uani 1 1 d . . . . .
H10A H 1.025596 0.376218 0.214411 0.075 Uiso 1 1 calc GR . . . .
H10B H 0.868690 0.460115 0.224589 0.075 Uiso 1 1 calc GR . . . .
H10C H 0.875641 0.287737 0.234641 0.075 Uiso 1 1 calc GR . . . .


_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 C7 1.2179(19) . ?
N1 C6 1.4087(18) . ?
N1 C7 1.364(2) . ?
N1 C13 1.4645(18) . ?
N2 C12 1.139(2) . ?
C1 C6 1.396(2) . ?
C1 C2 1.380(2) . ?
C1 C8 1.509(2) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.467(2) . ?
C11 C8 1.548(2) . ?
C6 C5 1.378(2) . ?
C2 H2 0.9300 . ?
C2 C3 1.391(2) . ?
C7 C8 1.540(2) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C14 1.504(2) . ?
C8 C9 1.537(2) . ?
C14 H14 0.9800 . ?
C14 C15 1.494(2) . ?
C14 C16 1.498(2) . ?
C5 H5 0.9300 . ?
C5 C4 1.394(2) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.518(2) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.492(3) . ?
C4 H4 0.9300 . ?
C4 C3 1.386(2) . ?
C3 H3 0.9300 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 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 C13 124.18(13) . . ?
C7 N1 C6 111.11(12) . . ?
C7 N1 C13 123.79(12) . . ?
C6 C1 C8 109.10(12) . . ?
C2 C1 C6 120.06(14) . . ?
C2 C1 C8 130.81(14) . . ?
H11A C11 H11B 107.9 . . ?
C12 C11 H11A 109.1 . . ?
C12 C11 H11B 109.1 . . ?
C12 C11 C8 112.29(13) . . ?
C8 C11 H11A 109.1 . . ?
C8 C11 H11B 109.1 . . ?
N2 C12 C11 178.58(17) . . ?
C1 C6 N1 109.41(13) . . ?
C5 C6 N1 128.70(14) . . ?
C5 C6 C1 121.89(14) . . ?
C1 C2 H2 120.6 . . ?
C1 C2 C3 118.86(15) . . ?
C3 C2 H2 120.6 . . ?
O1 C7 N1 126.06(15) . . ?
O1 C7 C8 125.32(14) . . ?
N1 C7 C8 108.59(12) . . ?
N1 C13 H13A 109.3 . . ?
N1 C13 H13B 109.3 . . ?
N1 C13 C14 111.70(12) . . ?
H13A C13 H13B 107.9 . . ?
C14 C13 H13A 109.3 . . ?
C14 C13 H13B 109.3 . . ?
C1 C8 C11 111.62(12) . . ?
C1 C8 C7 101.68(12) . . ?
C1 C8 C9 115.17(12) . . ?
C7 C8 C11 107.32(12) . . ?
C9 C8 C11 108.69(12) . . ?
C9 C8 C7 111.99(12) . . ?
C13 C14 H14 116.2 . . ?
C15 C14 C13 118.17(14) . . ?
C15 C14 H14 116.2 . . ?
C15 C14 C16 59.81(11) . . ?
C16 C14 C13 118.61(14) . . ?
C16 C14 H14 116.2 . . ?
C6 C5 H5 121.3 . . ?
C6 C5 C4 117.43(15) . . ?
C4 C5 H5 121.3 . . ?
C8 C9 H9A 108.8 . . ?
C8 C9 H9B 108.8 . . ?
H9A C9 H9B 107.7 . . ?
C10 C9 C8 113.85(13) . . ?
C10 C9 H9A 108.8 . . ?
C10 C9 H9B 108.8 . . ?
C14 C15 H15A 117.8 . . ?
C14 C15 H15B 117.7 . . ?
H15A C15 H15B 114.9 . . ?
C16 C15 C14 60.21(11) . . ?
C16 C15 H15A 117.7 . . ?
C16 C15 H15B 117.7 . . ?
C5 C4 H4 119.3 . . ?
C3 C4 C5 121.36(14) . . ?
C3 C4 H4 119.3 . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.39(14) . . ?
C4 C3 H3 119.8 . . ?
C14 C16 H16A 117.8 . . ?
C14 C16 H16B 117.8 . . ?
C15 C16 C14 59.98(11) . . ?
C15 C16 H16A 117.8 . . ?
C15 C16 H16B 117.8 . . ?
H16A C16 H16B 114.9 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?

_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 3.476
_oxdiff_exptl_absorpt_empirical_full_min 0.568
