# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_caac1_200k
_database_code_depnum_ccdc_archive 'CCDC 1986371'
loop_
_audit_author_name
_audit_author_address
'Alessia Bacchi'
;University of Parma
Italy
;
_audit_update_record             
;
2020-02-26 deposited with the CCDC.	2020-03-26 downloaded from the CCDC.
;
_audit_creation_date             2020-02-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        'Acridine bis(2-Methyl-5-(propan-2-yl)phenol)'
_chemical_formula_moiety         '2(C10 H14 O), C13 H9 N'
_chemical_formula_sum            'C33 H37 N O2'
_chemical_formula_weight         479.63
_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'
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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   9.5596(4)
_cell_length_b                   34.5438(10)
_cell_length_c                   9.0322(3)
_cell_angle_alpha                90
_cell_angle_beta                 113.902(5)
_cell_angle_gamma                90
_cell_volume                     2726.86(19)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    21005
_cell_measurement_temperature    200
_cell_measurement_theta_max      31.8330
_cell_measurement_theta_min      2.3190
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.071
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.74417
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.168
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1032
_exptl_crystal_preparation       Grinding
_exptl_crystal_recrystallization_method 
'Slow evaporation of a dichloromethane solution'
_exptl_crystal_size_max          1.0
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.5
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0396
_diffrn_reflns_av_unetI/netI     0.0345
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       49
_diffrn_reflns_limit_k_min       -47
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            30462
_diffrn_standards_number         1
_diffrn_standards_interval_count 100
_diffrn_standards_decay_%        0
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.505
_diffrn_reflns_theta_min         2.330
_diffrn_ambient_temperature      200.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      4.21 185.82   0.30   20.00    --   30.00  73.87 -25.79  606
  2  ω      4.21 185.82   0.30   20.00    --   30.00  73.87  64.21  606
  3  ω      4.21 185.82   0.30   20.00    --   30.00  73.87 154.21  606
  4  ω      4.21 185.82   0.30   20.00    --   30.00  73.87-115.79  606
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  'Bruker APEX2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_special_details          .
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5658
_reflns_number_total             8320
_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 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.232
_refine_diff_density_min         -0.191
_refine_diff_density_rms         0.041
_refine_ls_extinction_coef       0.0030(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     340
_refine_ls_number_reflns         8320
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0896
_refine_ls_R_factor_gt           0.0570
_refine_ls_restrained_S_all      1.051
_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)+(0.0419P)²+0.9997P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1202
_refine_ls_wR_factor_ref         0.1359
_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 Ternary CH refined with riding coordinates:
 C8(H8), C8A(H8A)
2.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C6A(H6A), C4A(H4A), C3A(H3A), C3(H3), C17(H17), C4(H4), C12(H12),
 C22(H22), C15(H15), C19(H19), C13(H13), C14(H14), C20(H20), C21(H21)
2.c Idealised Me refined as rotating group:
 C7A(H7AA,H7AB,H7AC), C7(H7A,H7B,H7C), C10(H10A,H10B,H10C), C9(H9A,H9B,H9C),
 C10A(H10D,H10E,H10F), C9A(H9AA,H9AB,H9AC)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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 0.38994(11) 0.61057(3) 0.74979(12) 0.0329(2) Uani 1 1 d . . . . .
O1A O 0.70673(13) 0.59118(3) 0.91514(13) 0.0386(2) Uani 1 1 d . . . . .
N1 N 0.32622(14) 0.55119(3) 0.53609(14) 0.0328(3) Uani 1 1 d . . . . .
C1 C 0.32882(15) 0.64580(4) 0.68533(16) 0.0278(3) Uani 1 1 d . . . . .
C6 C 0.23648(15) 0.65015(4) 0.52134(16) 0.0294(3) Uani 1 1 d . . . . .
H6 H 0.2133 0.6282 0.4523 0.035 Uiso 1 1 calc R . . . .
C1A C 0.79130(16) 0.61181(4) 0.84930(16) 0.0302(3) Uani 1 1 d . . . . .
C6A C 0.73102(16) 0.64379(4) 0.75136(17) 0.0315(3) Uani 1 1 d . . . . .
H6A H 0.6292 0.6517 0.7287 0.038 Uiso 1 1 calc R . . . .
C23 C 0.26260(16) 0.51953(4) 0.57067(17) 0.0327(3) Uani 1 1 d . . . . .
C11 C 0.36872(16) 0.54976(4) 0.40986(17) 0.0332(3) Uani 1 1 d . . . . .
C2 C 0.36257(16) 0.67751(4) 0.79069(16) 0.0310(3) Uani 1 1 d . . . . .
C2A C 0.94114(16) 0.59951(4) 0.88633(16) 0.0319(3) Uani 1 1 d . . . . .
C5 C 0.17744(16) 0.68614(4) 0.45663(16) 0.0317(3) Uani 1 1 d . . . . .
C5A C 0.81733(16) 0.66450(4) 0.68559(17) 0.0326(3) Uani 1 1 d . . . . .
C4A C 0.96495(17) 0.65183(4) 0.71868(18) 0.0358(3) Uani 1 1 d . . . . .
H4A H 1.0253 0.6651 0.6732 0.043 Uiso 1 1 calc R . . . .
C18 C 0.24010(16) 0.48423(4) 0.48076(18) 0.0359(3) Uani 1 1 d . . . . .
C3A C 1.02461(16) 0.62002(4) 0.81751(18) 0.0354(3) Uani 1 1 d . . . . .
H3A H 1.1260 0.6120 0.8389 0.042 Uiso 1 1 calc R . . . .
C3 C 0.30251(17) 0.71308(4) 0.72460(17) 0.0355(3) Uani 1 1 d . . . . .
H3 H 0.3237 0.7350 0.7936 0.043 Uiso 1 1 calc R . . . .
C16 C 0.34836(16) 0.51578(4) 0.31314(17) 0.0357(3) Uani 1 1 d . . . . .
C17 C 0.28525(17) 0.48332(4) 0.35246(18) 0.0386(3) Uani 1 1 d . . . . .
H17 H 0.2727 0.4602 0.2912 0.046 Uiso 1 1 calc R . . . .
C4 C 0.21214(17) 0.71766(4) 0.56040(18) 0.0357(3) Uani 1 1 d . . . . .
H4 H 0.1739 0.7426 0.5190 0.043 Uiso 1 1 calc R . . . .
C12 C 0.43808(19) 0.58279(5) 0.3746(2) 0.0419(4) Uani 1 1 d . . . . .
H12 H 0.4546 0.6054 0.4393 0.050 Uiso 1 1 calc R . . . .
C8 C 0.07703(18) 0.69049(4) 0.27720(17) 0.0396(3) Uani 1 1 d . . . . .
H8 H 0.0500 0.7185 0.2563 0.047 Uiso 1 1 calc R . . . .
C22 C 0.21658(19) 0.52110(5) 0.7021(2) 0.0417(4) Uani 1 1 d . . . . .
H22 H 0.2304 0.5442 0.7631 0.050 Uiso 1 1 calc R . . . .
C15 C 0.39607(19) 0.51657(5) 0.18192(18) 0.0462(4) Uani 1 1 d . . . . .
H15 H 0.3836 0.4942 0.1166 0.055 Uiso 1 1 calc R . . . .
C7A C 1.00972(19) 0.56597(5) 0.9990(2) 0.0447(4) Uani 1 1 d . . . . .
H7AA H 1.0124 0.5720 1.1061 0.067 Uiso 1 1 calc GR . . . .
H7AB H 1.1140 0.5613 1.0082 0.067 Uiso 1 1 calc GR . . . .
H7AC H 0.9474 0.5428 0.9561 0.067 Uiso 1 1 calc GR . . . .
C7 C 0.45637(19) 0.67234(5) 0.96949(18) 0.0435(4) Uani 1 1 d . . . . .
H7A H 0.4071 0.6532 1.0127 0.065 Uiso 1 1 calc GR . . . .
H7B H 0.4639 0.6971 1.0250 0.065 Uiso 1 1 calc GR . . . .
H7C H 0.5591 0.6634 0.9871 0.065 Uiso 1 1 calc GR . . . .
C8A C 0.75362(19) 0.70068(5) 0.5865(2) 0.0444(4) Uani 1 1 d . . . . .
H8A H 0.8309 0.7101 0.5463 0.053 Uiso 1 1 calc R . . . .
C19 C 0.17369(19) 0.45190(5) 0.5264(2) 0.0485(4) Uani 1 1 d . . . . .
H19 H 0.1589 0.4283 0.4682 0.058 Uiso 1 1 calc R . . . .
C10 C 0.1620(2) 0.67879(5) 0.17285(19) 0.0495(4) Uani 1 1 d . . . . .
H10A H 0.2563 0.6940 0.2047 0.074 Uiso 1 1 calc GR . . . .
H10B H 0.0968 0.6837 0.0586 0.074 Uiso 1 1 calc GR . . . .
H10C H 0.1875 0.6512 0.1883 0.074 Uiso 1 1 calc GR . . . .
C13 C 0.4810(2) 0.58208(5) 0.2476(2) 0.0510(4) Uani 1 1 d . . . . .
H13 H 0.5268 0.6044 0.2246 0.061 Uiso 1 1 calc R . . . .
C14 C 0.4586(2) 0.54886(6) 0.1503(2) 0.0533(5) Uani 1 1 d . . . . .
H14 H 0.4878 0.5492 0.0615 0.064 Uiso 1 1 calc R . . . .
C20 C 0.1316(2) 0.45461(5) 0.6521(2) 0.0543(5) Uani 1 1 d . . . . .
H20 H 0.0872 0.4329 0.6813 0.065 Uiso 1 1 calc R . . . .
C21 C 0.1530(2) 0.48957(5) 0.7402(2) 0.0513(4) Uani 1 1 d . . . . .
H21 H 0.1224 0.4910 0.8278 0.062 Uiso 1 1 calc R . . . .
C9 C -0.0721(2) 0.66795(6) 0.2291(2) 0.0581(5) Uani 1 1 d . . . . .
H9A H -0.0496 0.6402 0.2452 0.087 Uiso 1 1 calc GR . . . .
H9B H -0.1372 0.6729 0.1148 0.087 Uiso 1 1 calc GR . . . .
H9C H -0.1254 0.6763 0.2962 0.087 Uiso 1 1 calc GR . . . .
C10A C 0.6054(2) 0.69297(6) 0.4396(3) 0.0676(6) Uani 1 1 d . . . . .
H10D H 0.6217 0.6722 0.3744 0.101 Uiso 1 1 calc GR . . . .
H10E H 0.5734 0.7166 0.3741 0.101 Uiso 1 1 calc GR . . . .
H10F H 0.5256 0.6852 0.4756 0.101 Uiso 1 1 calc GR . . . .
C9A C 0.7311(3) 0.73247(5) 0.6919(3) 0.0742(7) Uani 1 1 d . . . . .
H9AA H 0.6503 0.7248 0.7265 0.111 Uiso 1 1 calc GR . . . .
H9AB H 0.7017 0.7566 0.6295 0.111 Uiso 1 1 calc GR . . . .
H9AC H 0.8268 0.7365 0.7873 0.111 Uiso 1 1 calc GR . . . .
H1A H 0.607(3) 0.6008(6) 0.871(3) 0.071(7) Uiso 1 1 d . . . . .
H1 H 0.364(3) 0.5913(6) 0.673(3) 0.076(7) Uiso 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
O1 C1 1.3730(16) . ?
O1 H1 0.92(2) . ?
O1A C1A 1.3802(17) . ?
O1A H1A 0.93(2) . ?
N1 C23 1.3482(19) . ?
N1 C11 1.3575(18) . ?
C1 C6 1.3915(18) . ?
C1 C2 1.4003(19) . ?
C6 H6 0.9500 . ?
C6 C5 1.3924(19) . ?
C1A C6A 1.3864(19) . ?
C1A C2A 1.3986(19) . ?
C6A H6A 0.9500 . ?
C6A C5A 1.3937(19) . ?
C23 C18 1.432(2) . ?
C23 C22 1.424(2) . ?
C11 C16 1.429(2) . ?
C11 C12 1.419(2) . ?
C2 C3 1.385(2) . ?
C2 C7 1.507(2) . ?
C2A C3A 1.388(2) . ?
C2A C7A 1.506(2) . ?
C5 C4 1.3865(19) . ?
C5 C8 1.520(2) . ?
C5A C4A 1.389(2) . ?
C5A C8A 1.514(2) . ?
C4A H4A 0.9500 . ?
C4A C3A 1.385(2) . ?
C18 C17 1.391(2) . ?
C18 C19 1.426(2) . ?
C3A H3A 0.9500 . ?
C3 H3 0.9500 . ?
C3 C4 1.390(2) . ?
C16 C17 1.386(2) . ?
C16 C15 1.432(2) . ?
C17 H17 0.9500 . ?
C4 H4 0.9500 . ?
C12 H12 0.9500 . ?
C12 C13 1.365(2) . ?
C8 H8 1.0000 . ?
C8 C10 1.527(2) . ?
C8 C9 1.525(2) . ?
C22 H22 0.9500 . ?
C22 C21 1.358(2) . ?
C15 H15 0.9500 . ?
C15 C14 1.350(3) . ?
C7A H7AA 0.9800 . ?
C7A H7AB 0.9800 . ?
C7A H7AC 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8A H8A 1.0000 . ?
C8A C10A 1.522(3) . ?
C8A C9A 1.524(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.352(3) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C13 H13 0.9500 . ?
C13 C14 1.408(3) . ?
C14 H14 0.9500 . ?
C20 H20 0.9500 . ?
C20 C21 1.415(3) . ?
C21 H21 0.9500 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10A H10D 0.9800 . ?
C10A H10E 0.9800 . ?
C10A H10F 0.9800 . ?
C9A H9AA 0.9800 . ?
C9A H9AB 0.9800 . ?
C9A H9AC 0.9800 . ?

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
C1 O1 H1 112.5(14) . . ?
C1A O1A H1A 107.6(13) . . ?
C23 N1 C11 118.80(12) . . ?
O1 C1 C6 121.63(12) . . ?
O1 C1 C2 117.63(12) . . ?
C6 C1 C2 120.73(12) . . ?
C1 C6 H6 119.4 . . ?
C1 C6 C5 121.18(12) . . ?
C5 C6 H6 119.4 . . ?
O1A C1A C6A 121.46(12) . . ?
O1A C1A C2A 117.52(12) . . ?
C6A C1A C2A 121.02(13) . . ?
C1A C6A H6A 119.5 . . ?
C1A C6A C5A 121.07(13) . . ?
C5A C6A H6A 119.5 . . ?
N1 C23 C18 122.52(13) . . ?
N1 C23 C22 118.88(13) . . ?
C22 C23 C18 118.60(14) . . ?
N1 C11 C16 122.04(14) . . ?
N1 C11 C12 119.05(13) . . ?
C12 C11 C16 118.91(14) . . ?
C1 C2 C7 120.59(13) . . ?
C3 C2 C1 117.39(12) . . ?
C3 C2 C7 121.99(13) . . ?
C1A C2A C7A 121.24(13) . . ?
C3A C2A C1A 117.18(13) . . ?
C3A C2A C7A 121.57(13) . . ?
C6 C5 C8 120.62(12) . . ?
C4 C5 C6 118.18(13) . . ?
C4 C5 C8 121.19(13) . . ?
C6A C5A C8A 120.64(13) . . ?
C4A C5A C6A 118.15(13) . . ?
C4A C5A C8A 121.16(13) . . ?
C5A C4A H4A 119.8 . . ?
C3A C4A C5A 120.38(14) . . ?
C3A C4A H4A 119.8 . . ?
C17 C18 C23 117.75(14) . . ?
C17 C18 C19 123.24(14) . . ?
C19 C18 C23 119.01(15) . . ?
C2A C3A H3A 118.9 . . ?
C4A C3A C2A 122.16(13) . . ?
C4A C3A H3A 118.9 . . ?
C2 C3 H3 119.0 . . ?
C2 C3 C4 122.06(13) . . ?
C4 C3 H3 119.0 . . ?
C11 C16 C15 118.69(15) . . ?
C17 C16 C11 118.27(14) . . ?
C17 C16 C15 123.03(15) . . ?
C18 C17 H17 119.7 . . ?
C16 C17 C18 120.62(14) . . ?
C16 C17 H17 119.7 . . ?
C5 C4 C3 120.45(13) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.06(16) . . ?
C13 C12 H12 120.0 . . ?
C5 C8 H8 107.5 . . ?
C5 C8 C10 111.58(13) . . ?
C5 C8 C9 111.53(14) . . ?
C10 C8 H8 107.5 . . ?
C9 C8 H8 107.5 . . ?
C9 C8 C10 111.01(14) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 C23 120.14(15) . . ?
C21 C22 H22 119.9 . . ?
C16 C15 H15 119.7 . . ?
C14 C15 C16 120.52(16) . . ?
C14 C15 H15 119.7 . . ?
C2A C7A H7AA 109.5 . . ?
C2A C7A H7AB 109.5 . . ?
C2A C7A H7AC 109.5 . . ?
H7AA C7A H7AB 109.5 . . ?
H7AA C7A H7AC 109.5 . . ?
H7AB C7A H7AC 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5A C8A H8A 107.7 . . ?
C5A C8A C10A 112.37(14) . . ?
C5A C8A C9A 110.53(15) . . ?
C10A C8A H8A 107.7 . . ?
C10A C8A C9A 110.68(17) . . ?
C9A C8A H8A 107.7 . . ?
C18 C19 H19 119.7 . . ?
C20 C19 C18 120.51(16) . . ?
C20 C19 H19 119.7 . . ?
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 . . ?
C12 C13 H13 119.4 . . ?
C12 C13 C14 121.17(17) . . ?
C14 C13 H13 119.4 . . ?
C15 C14 C13 120.63(16) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C19 C20 H20 119.8 . . ?
C19 C20 C21 120.43(17) . . ?
C21 C20 H20 119.8 . . ?
C22 C21 C20 121.31(17) . . ?
C22 C21 H21 119.3 . . ?
C20 C21 H21 119.3 . . ?
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 . . ?
C8A C10A H10D 109.5 . . ?
C8A C10A H10E 109.5 . . ?
C8A C10A H10F 109.5 . . ?
H10D C10A H10E 109.5 . . ?
H10D C10A H10F 109.5 . . ?
H10E C10A H10F 109.5 . . ?
C8A C9A H9AA 109.5 . . ?
C8A C9A H9AB 109.5 . . ?
C8A C9A H9AC 109.5 . . ?
H9AA C9A H9AB 109.5 . . ?
H9AA C9A H9AC 109.5 . . ?
H9AB C9A H9AC 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
- Detector area scaling
;
####################################################################### 
# 
# 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_tiac1_2_
_database_code_depnum_ccdc_archive 'CCDC 1986372'
loop_
_audit_author_name
_audit_author_address
'Alessia Bacchi'
;University of Parma
Italy
;
_audit_update_record             
;
2020-02-26 deposited with the CCDC.	2020-03-26 downloaded from the CCDC.
;
_audit_creation_date             2020-02-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        'Acridine 5-Methyl-2-(propan-2-yl)phenol'
_chemical_formula_moiety         'C10 H14 O, C13 H9 N'
_chemical_formula_sum            'C23 H23 N O'
_chemical_formula_weight         329.42
_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 0.0030 0.0020 '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 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.13720(10)
_cell_length_b                   9.12090(10)
_cell_length_c                   17.2439(2)
_cell_angle_alpha                90
_cell_angle_beta                 108.6290(10)
_cell_angle_gamma                90
_cell_volume                     1808.92(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    23232
_cell_measurement_temperature    100
_cell_measurement_theta_max      33.0890
_cell_measurement_theta_min      1.7420
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.071
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.92286
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.210
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             704
_exptl_crystal_preparation       'Grinding reaction'
_exptl_crystal_recrystallization_method 'Slow solvent evaporation'
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0378
_diffrn_reflns_av_unetI/netI     0.0175
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            29477
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        24.835
_diffrn_reflns_theta_max         28.642
_diffrn_reflns_theta_min         1.744
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  φ      0.00 360.00   0.30    1.00   0.00   0.00   0.00    --  1200
;
_diffrn_measurement_device       'Huber 4-circles Kappa Goniometer'
_diffrn_measurement_device_type  '4-circles Kappa Goniometer'
_diffrn_measurement_method       'Rotation around the Phi axis'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.700
_diffrn_source                   synchrotron
_diffrn_standards_number         1
_diffrn_standards_interval_count 100
_diffrn_standards_decay_%        0
_diffrn_special_details          .
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4525
_reflns_number_total             4784
_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 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXD (Sheldrick, 2008)'
_refine_diff_density_max         0.429
_refine_diff_density_min         -0.507
_refine_diff_density_rms         0.138
_refine_ls_extinction_coef       0.118(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     319
_refine_ls_number_reflns         4784
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0629
_refine_ls_R_factor_gt           0.0617
_refine_ls_restrained_S_all      1.104
_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)+(0.1123P)²+0.3000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1611
_refine_ls_wR_factor_ref         0.1627
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   difmap
_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 0.25836(6) 0.68455(8) 0.63694(5) 0.0276(2) Uani 1 1 d . . . . .
N1 N 0.17122(7) 0.51627(9) 0.49502(5) 0.0215(2) Uani 1 1 d . . . . .
C18 C 0.00511(7) 0.47117(10) 0.37306(6) 0.0203(2) Uani 1 1 d . . . . .
C2 C 0.42990(8) 0.76152(11) 0.60607(6) 0.0245(2) Uani 1 1 d . . . . .
C17 C 0.01117(8) 0.32157(10) 0.39049(6) 0.0214(2) Uani 1 1 d . . . . .
C1 C 0.35976(7) 0.76218(10) 0.65626(5) 0.0201(2) Uani 1 1 d . . . . .
C6 C 0.39071(7) 0.84389(10) 0.72888(5) 0.0195(2) Uani 1 1 d . . . . .
C5 C 0.49140(8) 0.92813(11) 0.74675(6) 0.0243(2) Uani 1 1 d . . . . .
C23 C 0.08837(8) 0.56589(10) 0.42787(6) 0.0203(2) Uani 1 1 d . . . . .
C11 C 0.17707(7) 0.37079(10) 0.51015(6) 0.0203(2) Uani 1 1 d . . . . .
C8 C 0.31496(8) 0.84468(11) 0.78385(6) 0.0222(2) Uani 1 1 d . . . . .
C19 C -0.07924(8) 0.53206(11) 0.30276(6) 0.0255(2) Uani 1 1 d . . . . .
C16 C 0.09760(8) 0.26808(10) 0.45862(6) 0.0203(2) Uani 1 1 d . . . . .
C4 C 0.56145(8) 0.92854(12) 0.69670(7) 0.0288(2) Uani 1 1 d . . . . .
C12 C 0.26662(9) 0.31679(12) 0.57958(6) 0.0260(2) Uani 1 1 d . . . . .
C3 C 0.53165(8) 0.84416(13) 0.62594(6) 0.0281(2) Uani 1 1 d . . . . .
C22 C 0.08472(9) 0.71875(10) 0.40944(6) 0.0263(2) Uani 1 1 d . . . . .
C20 C -0.07943(9) 0.67824(12) 0.28677(7) 0.0294(2) Uani 1 1 d . . . . .
C15 C 0.10991(9) 0.11578(10) 0.47892(6) 0.0253(2) Uani 1 1 d . . . . .
C13 C 0.27714(9) 0.17040(12) 0.59614(7) 0.0291(2) Uani 1 1 d . . . . .
C21 C 0.00383(10) 0.77201(11) 0.34078(7) 0.0294(2) Uani 1 1 d . . . . .
C14 C 0.19745(9) 0.06883(11) 0.54567(7) 0.0289(2) Uani 1 1 d . . . . .
C10 C 0.23595(12) 0.97820(16) 0.76676(9) 0.0419(3) Uani 1 1 d . . . . .
C9 C 0.38518(10) 0.83476(18) 0.87421(7) 0.0402(3) Uani 1 1 d . . . . .
C7 C 0.60746(11) 0.8424(2) 0.57156(8) 0.0426(3) Uani 1 1 d . . . . .
H2 H 0.4028(14) 0.7025(19) 0.5540(11) 0.041(4) Uiso 1 1 d . . . . .
H5 H 0.5133(13) 0.9908(17) 0.7951(9) 0.031(3) Uiso 1 1 d . . . . .
H20 H -0.1362(14) 0.7180(19) 0.2379(10) 0.041(4) Uiso 1 1 d . . . . .
H12 H 0.3199(14) 0.3864(18) 0.6128(10) 0.039(4) Uiso 1 1 d . . . . .
H17 H -0.0462(12) 0.2534(16) 0.3538(8) 0.027(3) Uiso 1 1 d . . . . .
H8 H 0.2627(12) 0.7556(17) 0.7689(9) 0.030(3) Uiso 1 1 d . . . . .
H22 H 0.1418(13) 0.7834(18) 0.4492(10) 0.036(4) Uiso 1 1 d . . . . .
H13 H 0.3413(14) 0.1385(19) 0.6438(10) 0.037(4) Uiso 1 1 d . . . . .
H4 H 0.6361(16) 0.988(2) 0.7130(11) 0.048(4) Uiso 1 1 d . . . . .
H19 H -0.1357(14) 0.4639(19) 0.2674(10) 0.040(4) Uiso 1 1 d . . . . .
H15 H 0.0531(14) 0.0449(18) 0.4424(10) 0.034(4) Uiso 1 1 d . . . . .
H10A H 0.1806(18) 0.979(2) 0.8005(13) 0.061(5) Uiso 1 1 d . . . . .
H14 H 0.2077(14) -0.0349(19) 0.5608(10) 0.040(4) Uiso 1 1 d . . . . .
H9A H 0.3302(14) 0.831(2) 0.9094(11) 0.045(4) Uiso 1 1 d . . . . .
H9B H 0.4395(17) 0.744(2) 0.8863(13) 0.061(5) Uiso 1 1 d . . . . .
H9C H 0.4304(17) 0.925(2) 0.8925(12) 0.056(5) Uiso 1 1 d . . . . .
H10B H 0.2800(17) 1.070(2) 0.7764(12) 0.056(5) Uiso 1 1 d . . . . .
H10C H 0.1886(17) 0.987(2) 0.7073(12) 0.054(5) Uiso 1 1 d . . . . .
H21 H 0.0039(14) 0.874(2) 0.3282(10) 0.043(4) Uiso 1 1 d . . . . .
H7A H 0.623(2) 0.743(3) 0.5592(15) 0.086(8) Uiso 1 1 d . . . . .
H1 H 0.2409(18) 0.634(2) 0.5864(13) 0.066(6) Uiso 1 1 d . . . . .
H7B H 0.684(2) 0.882(3) 0.6004(17) 0.093(8) Uiso 1 1 d . . . . .
H7C H 0.568(2) 0.885(3) 0.5212(15) 0.079(7) Uiso 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
O1 C1 1.3656(11) . ?
O1 H1 0.95(2) . ?
N1 C23 1.3465(12) . ?
N1 C11 1.3498(12) . ?
C18 C17 1.3941(12) . ?
C18 C23 1.4320(12) . ?
C18 C19 1.4260(13) . ?
C2 C1 1.3944(12) . ?
C2 C3 1.3930(14) . ?
C2 H2 1.008(18) . ?
C17 C16 1.3897(13) . ?
C17 H17 0.995(14) . ?
C1 C6 1.4015(12) . ?
C6 C5 1.3923(12) . ?
C6 C8 1.5167(12) . ?
C5 C4 1.3914(14) . ?
C5 H5 0.975(15) . ?
C23 C22 1.4275(12) . ?
C11 C16 1.4317(12) . ?
C11 C12 1.4234(13) . ?
C8 C10 1.5195(15) . ?
C8 C9 1.5212(14) . ?
C8 H8 1.012(15) . ?
C19 C20 1.3613(14) . ?
C19 H19 0.980(17) . ?
C16 C15 1.4287(12) . ?
C4 C3 1.3893(15) . ?
C4 H4 1.015(18) . ?
C12 C13 1.3628(14) . ?
C12 H12 0.955(17) . ?
C3 C7 1.5091(14) . ?
C22 C21 1.3635(15) . ?
C22 H22 0.997(16) . ?
C20 C21 1.4209(16) . ?
C20 H20 0.972(17) . ?
C15 C14 1.3623(14) . ?
C15 H15 1.006(16) . ?
C13 C14 1.4190(16) . ?
C13 H13 0.978(16) . ?
C21 H21 0.960(18) . ?
C14 H14 0.979(17) . ?
C10 H10A 1.02(2) . ?
C10 H10B 0.98(2) . ?
C10 H10C 1.01(2) . ?
C9 H9A 1.036(17) . ?
C9 H9B 1.04(2) . ?
C9 H9C 0.99(2) . ?
C7 H7A 0.97(3) . ?
C7 H7B 0.97(3) . ?
C7 H7C 0.93(2) . ?

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
C1 O1 H1 113.2(13) . . ?
C23 N1 C11 118.39(8) . . ?
C17 C18 C23 118.08(8) . . ?
C17 C18 C19 122.58(8) . . ?
C19 C18 C23 119.33(8) . . ?
C1 C2 H2 117.7(10) . . ?
C3 C2 C1 120.94(9) . . ?
C3 C2 H2 121.3(10) . . ?
C18 C17 H17 119.7(8) . . ?
C16 C17 C18 119.96(8) . . ?
C16 C17 H17 120.3(8) . . ?
O1 C1 C2 121.85(8) . . ?
O1 C1 C6 117.20(8) . . ?
C2 C1 C6 120.95(8) . . ?
C1 C6 C8 121.19(8) . . ?
C5 C6 C1 117.19(8) . . ?
C5 C6 C8 121.57(8) . . ?
C6 C5 H5 119.6(9) . . ?
C4 C5 C6 122.09(9) . . ?
C4 C5 H5 118.3(9) . . ?
N1 C23 C18 122.72(8) . . ?
N1 C23 C22 118.77(8) . . ?
C22 C23 C18 118.50(9) . . ?
N1 C11 C16 122.67(8) . . ?
N1 C11 C12 118.79(8) . . ?
C12 C11 C16 118.53(8) . . ?
C6 C8 C10 110.71(8) . . ?
C6 C8 C9 112.75(8) . . ?
C6 C8 H8 107.0(8) . . ?
C10 C8 C9 111.02(10) . . ?
C10 C8 H8 106.8(8) . . ?
C9 C8 H8 108.3(8) . . ?
C18 C19 H19 116.8(10) . . ?
C20 C19 C18 120.52(9) . . ?
C20 C19 H19 122.7(10) . . ?
C17 C16 C11 118.16(8) . . ?
C17 C16 C15 122.69(8) . . ?
C15 C16 C11 119.15(9) . . ?
C5 C4 H4 119.8(11) . . ?
C3 C4 C5 120.27(9) . . ?
C3 C4 H4 119.9(11) . . ?
C11 C12 H12 117.6(10) . . ?
C13 C12 C11 120.70(10) . . ?
C13 C12 H12 121.7(10) . . ?
C2 C3 C7 120.68(10) . . ?
C4 C3 C2 118.51(9) . . ?
C4 C3 C7 120.81(10) . . ?
C23 C22 H22 117.4(9) . . ?
C21 C22 C23 120.25(9) . . ?
C21 C22 H22 122.4(9) . . ?
C19 C20 C21 120.13(10) . . ?
C19 C20 H20 119.7(10) . . ?
C21 C20 H20 120.1(10) . . ?
C16 C15 H15 118.3(9) . . ?
C14 C15 C16 120.33(9) . . ?
C14 C15 H15 121.3(9) . . ?
C12 C13 C14 120.75(10) . . ?
C12 C13 H13 117.6(10) . . ?
C14 C13 H13 121.6(10) . . ?
C22 C21 C20 121.25(9) . . ?
C22 C21 H21 119.4(10) . . ?
C20 C21 H21 119.3(10) . . ?
C15 C14 C13 120.52(9) . . ?
C15 C14 H14 121.9(10) . . ?
C13 C14 H14 117.6(10) . . ?
C8 C10 H10A 112.5(12) . . ?
C8 C10 H10B 112.0(12) . . ?
C8 C10 H10C 112.3(11) . . ?
H10A C10 H10B 109.0(16) . . ?
H10A C10 H10C 108.3(16) . . ?
H10B C10 H10C 102.2(16) . . ?
C8 C9 H9A 110.3(10) . . ?
C8 C9 H9B 111.4(12) . . ?
C8 C9 H9C 110.5(12) . . ?
H9A C9 H9B 110.3(15) . . ?
H9A C9 H9C 103.5(15) . . ?
H9B C9 H9C 110.6(15) . . ?
C3 C7 H7A 110.3(15) . . ?
C3 C7 H7B 110.4(16) . . ?
C3 C7 H7C 110.1(15) . . ?
H7A C7 H7B 104(2) . . ?
H7A C7 H7C 105(2) . . ?
H7B C7 H7C 116(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
;
