# Electronic Supplementary Material (ESI) for Green Chemistry.
# 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_t1
_database_code_depnum_ccdc_archive 'CCDC 2129581'
loop_
_audit_author_name
_audit_author_address
'Hongji Li'
;Huaibei Normal University
China
;
_audit_update_record             
;
2022-03-26 deposited with the CCDC.	2022-09-12 downloaded from the CCDC.
;
_audit_creation_date             2021-10-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        9-benzyl-9H-xanthene
_chemical_formula_moiety         'C20 H16 O'
_chemical_formula_sum            'C20 H16 O'
_chemical_formula_weight         272.33
_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'
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   5.6133(16)
_cell_length_b                   11.125(3)
_cell_length_c                   23.100(6)
_cell_angle_alpha                91.600(12)
_cell_angle_beta                 90.153(12)
_cell_angle_gamma                90.094(13)
_cell_volume                     1442.0(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    830
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      27.26
_cell_measurement_theta_min      3.05
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.076
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.7210
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0665 before and 0.0554 after correction.
The Ratio of minimum to maximum transmission is 0.9670.
The λ/2 correction factor is Not present.
;
_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    1.254
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             576
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0386
_diffrn_reflns_av_unetI/netI     0.0220
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            60841
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.656
_diffrn_reflns_theta_min         2.507
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4669
_reflns_number_total             6682
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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         0.143
_refine_diff_density_min         -0.161
_refine_diff_density_rms         0.029
_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     379
_refine_ls_number_reflns         6682
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0768
_refine_ls_R_factor_gt           0.0495
_refine_ls_restrained_S_all      1.070
_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)+(0.0600P)²+0.1990P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1192
_refine_ls_wR_factor_ref         0.1355
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C00C(H00C), C8(H8)
2.b Secondary CH2 refined with riding coordinates:
 C00Y(H00A,H00B), C7(H7A,H7B)
2.c Aromatic/amide H refined with riding coordinates:
 C00G(H00G), C00I(H00I), C00K(H00K), C00M(H00M), C00N(H00N), C00P(H00P),
 C00R(H00R), C00U(H00U), C00V(H00V), C2(H2), C3(H3), C4(H4), C5(H5), C6(H6),
 C10(H10), C010(H010), C11(H11), C011(H011), C12(H12), C13(H13), C014(H014),
 C16(H16), C016(H016), C17(H17), C18(H18), C19(H19)
;
_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 0.33416(18) 0.11060(10) 0.92916(5) 0.0598(3) Uani 1 1 d . . . . .
O2 O 0.83428(18) 0.88939(10) 0.57083(5) 0.0598(3) Uani 1 1 d . . . . .
C00B C 0.4796(3) 0.98079(13) 0.61146(6) 0.0476(3) Uani 1 1 d . . . . .
C00C C 0.4453(3) 0.87160(14) 0.64700(6) 0.0491(3) Uani 1 1 d . . . . .
H00C H 0.2749 0.8607 0.6545 0.059 Uiso 1 1 calc R . . . .
C00E C 0.5598(3) 0.78641(14) 0.74546(6) 0.0501(3) Uani 1 1 d . . . . .
C00G C 0.4392(3) 0.64986(14) 0.61640(7) 0.0561(4) Uani 1 1 d . . . . .
H00G H 0.3034 0.6384 0.6386 0.067 Uiso 1 1 calc R . . . .
C00I C 0.3664(3) 0.77606(15) 0.78205(7) 0.0582(4) Uani 1 1 d . . . . .
H00I H 0.2475 0.8341 0.7818 0.070 Uiso 1 1 calc R . . . .
C00K C 0.3278(3) 1.07922(15) 0.61312(7) 0.0570(4) Uani 1 1 d . . . . .
H00K H 0.1923 1.0776 0.6362 0.068 Uiso 1 1 calc R . . . .
C00M C 0.5750(3) 1.18176(15) 0.54703(7) 0.0590(4) Uani 1 1 d . . . . .
H00M H 0.6071 1.2496 0.5257 0.071 Uiso 1 1 calc R . . . .
C00N C 0.7281(3) 1.08527(14) 0.54406(7) 0.0557(4) Uani 1 1 d . . . . .
H00N H 0.8630 1.0872 0.5208 0.067 Uiso 1 1 calc R . . . .
C00P C 0.5397(3) 0.55291(15) 0.58687(8) 0.0656(4) Uani 1 1 d . . . . .
H00P H 0.4707 0.4771 0.5890 0.079 Uiso 1 1 calc R . . . .
C00R C 0.3745(3) 1.17871(15) 0.58133(8) 0.0615(4) Uani 1 1 d . . . . .
H00R H 0.2713 1.2440 0.5829 0.074 Uiso 1 1 calc R . . . .
C00U C 0.7412(3) 0.56853(16) 0.55437(8) 0.0686(5) Uani 1 1 d . . . . .
H00U H 0.8107 0.5028 0.5353 0.082 Uiso 1 1 calc R . . . .
C00V C 0.8408(3) 0.68074(15) 0.54996(8) 0.0617(4) Uani 1 1 d . . . . .
H00V H 0.9773 0.6916 0.5280 0.074 Uiso 1 1 calc R . . . .
C00Y C 0.5789(3) 0.88922(15) 0.70546(7) 0.0583(4) Uani 1 1 d . . . . .
H00A H 0.7461 0.9032 0.6975 0.070 Uiso 1 1 calc R . . . .
H00B H 0.5175 0.9608 0.7251 0.070 Uiso 1 1 calc R . . . .
C1 C 0.0596(3) 0.21375(14) 0.75466(6) 0.0503(4) Uani 1 1 d . . . . .
C2 C -0.1336(3) 0.22412(15) 0.71788(7) 0.0583(4) Uani 1 1 d . . . . .
H2 H -0.2527 0.1659 0.7179 0.070 Uiso 1 1 calc R . . . .
C3 C -0.1529(3) 0.31850(17) 0.68142(8) 0.0653(4) Uani 1 1 d . . . . .
H3 H -0.2849 0.3241 0.6572 0.078 Uiso 1 1 calc R . . . .
C4 C 0.0206(3) 0.40450(17) 0.68038(7) 0.0650(4) Uani 1 1 d . . . . .
H4 H 0.0077 0.4682 0.6553 0.078 Uiso 1 1 calc R . . . .
C004 C 0.5375(2) 0.76363(13) 0.61351(6) 0.0463(3) Uani 1 1 d . . . . .
C5 C 0.2125(3) 0.39667(18) 0.71621(8) 0.0688(5) Uani 1 1 d . . . . .
H5 H 0.3306 0.4553 0.7158 0.083 Uiso 1 1 calc R . . . .
C6 C 0.2319(3) 0.30235(17) 0.75293(7) 0.0627(4) Uani 1 1 d . . . . .
H6 H 0.3639 0.2980 0.7772 0.075 Uiso 1 1 calc R . . . .
C007 C 0.6781(2) 0.98603(13) 0.57597(7) 0.0489(3) Uani 1 1 d . . . . .
C7 C 0.0790(3) 0.11063(15) 0.79459(7) 0.0577(4) Uani 1 1 d . . . . .
H7A H 0.2461 0.0967 0.8027 0.069 Uiso 1 1 calc R . . . .
H7B H 0.0171 0.0390 0.7749 0.069 Uiso 1 1 calc R . . . .
C008 C 0.7354(3) 0.77731(13) 0.57867(6) 0.0491(3) Uani 1 1 d . . . . .
C8 C -0.0546(3) 0.12846(13) 0.85291(6) 0.0490(3) Uani 1 1 d . . . . .
H8 H -0.2249 0.1390 0.8452 0.059 Uiso 1 1 calc R . . . .
C9 C 0.0372(2) 0.23632(13) 0.88655(6) 0.0464(3) Uani 1 1 d . . . . .
C10 C -0.0605(3) 0.35016(14) 0.88366(7) 0.0562(4) Uani 1 1 d . . . . .
H10 H -0.1964 0.3614 0.8614 0.067 Uiso 1 1 calc R . . . .
C010 C 0.5204(3) 0.59532(17) 0.81960(7) 0.0649(4) Uani 1 1 d . . . . .
H010 H 0.5073 0.5315 0.8446 0.078 Uiso 1 1 calc R . . . .
C11 C 0.0396(3) 0.44696(15) 0.91311(8) 0.0656(5) Uani 1 1 d . . . . .
H11 H -0.0294 0.5227 0.9110 0.079 Uiso 1 1 calc R . . . .
C011 C 0.3472(3) 0.68163(17) 0.81867(8) 0.0653(4) Uani 1 1 d . . . . .
H011 H 0.2160 0.6762 0.8430 0.078 Uiso 1 1 calc R . . . .
C12 C 0.2413(3) 0.43135(16) 0.94559(8) 0.0682(5) Uani 1 1 d . . . . .
H12 H 0.3114 0.4971 0.9647 0.082 Uiso 1 1 calc R . . . .
C13 C 0.3407(3) 0.31932(15) 0.95003(8) 0.0613(4) Uani 1 1 d . . . . .
H13 H 0.4774 0.3087 0.9721 0.074 Uiso 1 1 calc R . . . .
C14 C 0.2354(2) 0.22284(13) 0.92133(6) 0.0485(3) Uani 1 1 d . . . . .
C014 C 0.7317(3) 0.69782(17) 0.74688(7) 0.0629(4) Uani 1 1 d . . . . .
H014 H 0.8628 0.7022 0.7225 0.075 Uiso 1 1 calc R . . . .
C15 C 0.1777(2) 0.01398(13) 0.92402(7) 0.0483(3) Uani 1 1 d . . . . .
C16 C 0.2282(3) -0.08544(14) 0.95585(7) 0.0555(4) Uani 1 1 d . . . . .
H16 H 0.3638 -0.0874 0.9790 0.067 Uiso 1 1 calc R . . . .
C016 C 0.7128(3) 0.60325(18) 0.78373(8) 0.0689(5) Uani 1 1 d . . . . .
H016 H 0.8308 0.5447 0.7842 0.083 Uiso 1 1 calc R . . . .
C17 C 0.0753(3) -0.18171(15) 0.95287(7) 0.0592(4) Uani 1 1 d . . . . .
H17 H 0.1076 -0.2495 0.9742 0.071 Uiso 1 1 calc R . . . .
C18 C -0.1250(3) -0.17877(15) 0.91874(8) 0.0612(4) Uani 1 1 d . . . . .
H18 H -0.2285 -0.2441 0.9172 0.073 Uiso 1 1 calc R . . . .
C19 C -0.1722(3) -0.07923(15) 0.88692(7) 0.0568(4) Uani 1 1 d . . . . .
H19 H -0.3081 -0.0778 0.8639 0.068 Uiso 1 1 calc R . . . .
C20 C -0.0204(2) 0.01928(13) 0.88861(6) 0.0472(3) Uani 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 C14 1.3833(18) . ?
O1 C15 1.3893(18) . ?
O2 C007 1.3912(18) . ?
O2 C008 1.3807(18) . ?
C00B C00C 1.498(2) . ?
C00B C00K 1.388(2) . ?
C00B C007 1.387(2) . ?
C00C H00C 0.9800 . ?
C00C C00Y 1.551(2) . ?
C00C C004 1.504(2) . ?
C00E C00I 1.384(2) . ?
C00E C00Y 1.494(2) . ?
C00E C014 1.382(2) . ?
C00G H00G 0.9300 . ?
C00G C00P 1.382(2) . ?
C00G C004 1.383(2) . ?
C00I H00I 0.9300 . ?
C00I C011 1.371(2) . ?
C00K H00K 0.9300 . ?
C00K C00R 1.371(2) . ?
C00M H00M 0.9300 . ?
C00M C00N 1.376(2) . ?
C00M C00R 1.379(2) . ?
C00N H00N 0.9300 . ?
C00N C007 1.374(2) . ?
C00P H00P 0.9300 . ?
C00P C00U 1.373(3) . ?
C00R H00R 0.9300 . ?
C00U H00U 0.9300 . ?
C00U C00V 1.374(3) . ?
C00V H00V 0.9300 . ?
C00V C008 1.381(2) . ?
C00Y H00A 0.9700 . ?
C00Y H00B 0.9700 . ?
C1 C2 1.383(2) . ?
C1 C6 1.381(2) . ?
C1 C7 1.496(2) . ?
C2 H2 0.9300 . ?
C2 C3 1.369(2) . ?
C3 H3 0.9300 . ?
C3 C4 1.365(2) . ?
C4 H4 0.9300 . ?
C4 C5 1.361(2) . ?
C004 C008 1.385(2) . ?
C5 H5 0.9300 . ?
C5 C6 1.372(3) . ?
C6 H6 0.9300 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C8 1.552(2) . ?
C8 H8 0.9800 . ?
C8 C9 1.501(2) . ?
C8 C20 1.499(2) . ?
C9 C10 1.384(2) . ?
C9 C14 1.381(2) . ?
C10 H10 0.9300 . ?
C10 C11 1.376(2) . ?
C010 H010 0.9300 . ?
C010 C011 1.368(2) . ?
C010 C016 1.367(2) . ?
C11 H11 0.9300 . ?
C11 C12 1.371(3) . ?
C011 H011 0.9300 . ?
C12 H12 0.9300 . ?
C12 C13 1.373(2) . ?
C13 H13 0.9300 . ?
C13 C14 1.377(2) . ?
C014 H014 0.9300 . ?
C014 C016 1.376(3) . ?
C15 C16 1.375(2) . ?
C15 C20 1.381(2) . ?
C16 H16 0.9300 . ?
C16 C17 1.372(2) . ?
C016 H016 0.9300 . ?
C17 H17 0.9300 . ?
C17 C18 1.372(2) . ?
C18 H18 0.9300 . ?
C18 C19 1.372(2) . ?
C19 H19 0.9300 . ?
C19 C20 1.387(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
C14 O1 C15 115.75(11) . . ?
C008 O2 C007 115.74(11) . . ?
C00K C00B C00C 123.83(14) . . ?
C007 C00B C00C 118.42(13) . . ?
C007 C00B C00K 117.72(14) . . ?
C00B C00C H00C 109.2 . . ?
C00B C00C C00Y 109.30(12) . . ?
C00B C00C C004 108.77(12) . . ?
C00Y C00C H00C 109.2 . . ?
C004 C00C H00C 109.2 . . ?
C004 C00C C00Y 111.14(13) . . ?
C00I C00E C00Y 120.85(15) . . ?
C014 C00E C00I 117.62(15) . . ?
C014 C00E C00Y 121.52(15) . . ?
C00P C00G H00G 119.5 . . ?
C00P C00G C004 121.04(16) . . ?
C004 C00G H00G 119.5 . . ?
C00E C00I H00I 119.4 . . ?
C011 C00I C00E 121.14(15) . . ?
C011 C00I H00I 119.4 . . ?
C00B C00K H00K 119.5 . . ?
C00R C00K C00B 121.05(15) . . ?
C00R C00K H00K 119.5 . . ?
C00N C00M H00M 119.7 . . ?
C00N C00M C00R 120.56(16) . . ?
C00R C00M H00M 119.7 . . ?
C00M C00N H00N 120.6 . . ?
C007 C00N C00M 118.88(15) . . ?
C007 C00N H00N 120.6 . . ?
C00G C00P H00P 120.0 . . ?
C00U C00P C00G 119.99(16) . . ?
C00U C00P H00P 120.0 . . ?
C00K C00R C00M 119.83(16) . . ?
C00K C00R H00R 120.1 . . ?
C00M C00R H00R 120.1 . . ?
C00P C00U H00U 119.8 . . ?
C00P C00U C00V 120.31(16) . . ?
C00V C00U H00U 119.8 . . ?
C00U C00V H00V 120.5 . . ?
C00U C00V C008 119.06(16) . . ?
C008 C00V H00V 120.5 . . ?
C00C C00Y H00A 108.5 . . ?
C00C C00Y H00B 108.5 . . ?
C00E C00Y C00C 115.04(13) . . ?
C00E C00Y H00A 108.5 . . ?
C00E C00Y H00B 108.5 . . ?
H00A C00Y H00B 107.5 . . ?
C2 C1 C7 120.94(15) . . ?
C6 C1 C2 117.23(15) . . ?
C6 C1 C7 121.83(14) . . ?
C1 C2 H2 119.4 . . ?
C3 C2 C1 121.22(15) . . ?
C3 C2 H2 119.4 . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.33(16) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 120.2 . . ?
C5 C4 C3 119.69(17) . . ?
C5 C4 H4 120.2 . . ?
C00G C004 C00C 123.79(14) . . ?
C00G C004 C008 117.59(14) . . ?
C008 C004 C00C 118.60(13) . . ?
C4 C5 H5 120.0 . . ?
C4 C5 C6 120.09(17) . . ?
C6 C5 H5 120.0 . . ?
C1 C6 H6 119.3 . . ?
C5 C6 C1 121.43(15) . . ?
C5 C6 H6 119.3 . . ?
C00B C007 O2 120.91(14) . . ?
C00N C007 O2 117.13(13) . . ?
C00N C007 C00B 121.96(14) . . ?
C1 C7 H7A 108.6 . . ?
C1 C7 H7B 108.6 . . ?
C1 C7 C8 114.74(13) . . ?
H7A C7 H7B 107.6 . . ?
C8 C7 H7A 108.6 . . ?
C8 C7 H7B 108.6 . . ?
O2 C008 C00V 117.22(14) . . ?
O2 C008 C004 120.85(13) . . ?
C00V C008 C004 121.93(15) . . ?
C7 C8 H8 109.2 . . ?
C9 C8 C7 111.40(13) . . ?
C9 C8 H8 109.2 . . ?
C20 C8 C7 109.23(12) . . ?
C20 C8 H8 109.2 . . ?
C20 C8 C9 108.66(12) . . ?
C10 C9 C8 123.99(14) . . ?
C14 C9 C8 118.47(13) . . ?
C14 C9 C10 117.51(14) . . ?
C9 C10 H10 119.3 . . ?
C11 C10 C9 121.30(16) . . ?
C11 C10 H10 119.3 . . ?
C011 C010 H010 120.1 . . ?
C016 C010 H010 120.1 . . ?
C016 C010 C011 119.77(17) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 C10 119.72(16) . . ?
C12 C11 H11 120.1 . . ?
C00I C011 H011 119.9 . . ?
C010 C011 C00I 120.24(16) . . ?
C010 C011 H011 119.9 . . ?
C11 C12 H12 119.8 . . ?
C11 C12 C13 120.42(16) . . ?
C13 C12 H12 119.8 . . ?
C12 C13 H13 120.4 . . ?
C12 C13 C14 119.15(16) . . ?
C14 C13 H13 120.4 . . ?
C9 C14 O1 120.81(13) . . ?
C13 C14 O1 117.37(14) . . ?
C13 C14 C9 121.81(14) . . ?
C00E C014 H014 119.4 . . ?
C016 C014 C00E 121.23(16) . . ?
C016 C014 H014 119.4 . . ?
C16 C15 O1 117.15(13) . . ?
C16 C15 C20 122.07(14) . . ?
C20 C15 O1 120.78(13) . . ?
C15 C16 H16 120.6 . . ?
C17 C16 C15 118.89(15) . . ?
C17 C16 H16 120.6 . . ?
C010 C016 C014 120.00(17) . . ?
C010 C016 H016 120.0 . . ?
C014 C016 H016 120.0 . . ?
C16 C17 H17 119.7 . . ?
C16 C17 C18 120.55(16) . . ?
C18 C17 H17 119.7 . . ?
C17 C18 H18 120.1 . . ?
C19 C18 C17 119.87(15) . . ?
C19 C18 H18 120.1 . . ?
C18 C19 H19 119.5 . . ?
C18 C19 C20 121.05(15) . . ?
C20 C19 H19 119.5 . . ?
C15 C20 C8 118.52(13) . . ?
C15 C20 C19 117.55(14) . . ?
C19 C20 C8 123.90(13) . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
