# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_zys1459-0
_audit_block_doi                 10.5517/cc1jrzy6
_database_code_depnum_ccdc_archive 'CCDC 1423239'
_audit_update_record             
;
2015-09-09 deposited with the CCDC.
2016-01-12 downloaded from the CCDC.
;
_audit_creation_date             2014-12-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.12.26 svn.r3119 for OlexSys, GUI svn.r4973)
;
_shelxl_version_number           2014-1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C16 H23 N3 Ru, 2(F6 Sb)'
_chemical_formula_sum            'C16 H23 F12 N3 Ru Sb2'
_chemical_formula_weight         829.94
_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'
F F 0.0171 0.0103 '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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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                   8.3829(3)
_cell_length_b                   18.5671(5)
_cell_length_c                   17.8534(6)
_cell_angle_alpha                90
_cell_angle_beta                 98.919(3)
_cell_angle_gamma                90
_cell_volume                     2745.21(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4553
_cell_measurement_temperature    293
_cell_measurement_theta_max      26.6070
_cell_measurement_theta_min      4.0680
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.587
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.54789
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            ??
_exptl_crystal_density_diffrn    2.008
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             1576
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0315
_diffrn_reflns_av_unetI/netI     0.0366
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.872
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            18239
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.872
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.158
_diffrn_reflns_theta_min         3.489
_diffrn_ambient_temperature      293
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 15.9595
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.872
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -11.00   83.00   1.0000    1.9500
omega____ theta____ kappa____ phi______ frames
    -       15.7256   77.0000 -180.0000 94

#__ type_ start__ end____ width___ exp.time_
  2 omega  -20.00   55.00   1.0000    1.9500
omega____ theta____ kappa____ phi______ frames
    -       15.7256  -99.0000  120.0000 75

#__ type_ start__ end____ width___ exp.time_
  3 omega   29.00   82.00   1.0000    1.9500
omega____ theta____ kappa____ phi______ frames
    -       15.7256   38.0000  -90.0000 53

#__ type_ start__ end____ width___ exp.time_
  4 omega  -53.00   34.00   1.0000    1.9500
omega____ theta____ kappa____ phi______ frames
    -       15.7256  -38.0000   90.0000 87
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Gemini, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0827875000
_diffrn_orient_matrix_UB_12      0.0030544000
_diffrn_orient_matrix_UB_13      0.0157504000
_diffrn_orient_matrix_UB_21      0.0180175000
_diffrn_orient_matrix_UB_22      0.0113927000
_diffrn_orient_matrix_UB_23      -0.0356459000
_diffrn_orient_matrix_UB_31      -0.0126058000
_diffrn_orient_matrix_UB_32      0.0363517000
_diffrn_orient_matrix_UB_33      0.0098695000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4380
_reflns_number_total             6474
_reflns_odcompleteness_completeness 99.62
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2008)'
_refine_diff_density_max         0.894
_refine_diff_density_min         -1.005
_refine_diff_density_rms         0.116
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     313
_refine_ls_number_reflns         6474
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0845
_refine_ls_R_factor_gt           0.0539
_refine_ls_restrained_S_all      1.020
_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)+(0.0731P)²+4.4767P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1369
_refine_ls_wR_factor_ref         0.1561
_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)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C6(H6), C7(H7)
2.c Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C12(H12A,H12B,H12C),
 C14(H14A,H14B,H14C), C16(H16A,H16B,H16C)
;
_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
Ru1 Ru 0.87269(6) 0.35562(2) 0.72438(3) 0.04872(15) Uani 1 1 d . . . . .
N1 N 1.0441(6) 0.2837(3) 0.7751(3) 0.0624(13) Uani 1 1 d . . . . .
N2 N 1.0079(6) 0.4358(3) 0.7873(3) 0.0620(13) Uani 1 1 d . . . . .
N3 N 1.0251(7) 0.3675(3) 0.6429(3) 0.0624(13) Uani 1 1 d . . . . .
C1 C 0.6638(7) 0.3757(3) 0.7828(3) 0.0560(14) Uani 1 1 d . . . . .
C2 C 0.6816(7) 0.3011(3) 0.7724(4) 0.0570(14) Uani 1 1 d . . . . .
H2 H 0.6885 0.2705 0.8140 0.068 Uiso 1 1 calc R . . . .
C3 C 0.6890(8) 0.2719(3) 0.7004(4) 0.0632(16) Uani 1 1 d . . . . .
H3 H 0.7007 0.2223 0.6956 0.076 Uiso 1 1 calc R . . . .
C4 C 0.6792(8) 0.3153(4) 0.6358(4) 0.0699(18) Uani 1 1 d . . . . .
C5 C 0.6958(11) 0.2827(5) 0.5605(4) 0.099(3) Uani 1 1 d . . . . .
H5A H 0.7865 0.3039 0.5419 0.148 Uiso 1 1 calc GR . . . .
H5B H 0.5993 0.2916 0.5252 0.148 Uiso 1 1 calc GR . . . .
H5C H 0.7124 0.2317 0.5663 0.148 Uiso 1 1 calc GR . . . .
C6 C 0.6607(8) 0.3914(4) 0.6455(4) 0.0714(18) Uani 1 1 d . . . . .
H6 H 0.6529 0.4217 0.6036 0.086 Uiso 1 1 calc R . . . .
C7 C 0.6541(7) 0.4202(4) 0.7166(4) 0.0637(16) Uani 1 1 d . . . . .
H7 H 0.6431 0.4697 0.7214 0.076 Uiso 1 1 calc R . . . .
C8 C 0.6570(9) 0.4097(4) 0.8591(4) 0.0745(19) Uani 1 1 d . . . . .
H8 H 0.7025 0.4583 0.8585 0.089 Uiso 1 1 calc R . . . .
C9 C 0.7512(14) 0.3699(6) 0.9245(5) 0.115(3) Uani 1 1 d . . . . .
H9A H 0.7062 0.3227 0.9278 0.173 Uiso 1 1 calc GR . . . .
H9B H 0.7461 0.3957 0.9706 0.173 Uiso 1 1 calc GR . . . .
H9C H 0.8617 0.3658 0.9169 0.173 Uiso 1 1 calc GR . . . .
C10 C 0.4823(13) 0.4171(8) 0.8670(7) 0.146(5) Uani 1 1 d . . . . .
H10A H 0.4732 0.4427 0.9129 0.219 Uiso 1 1 calc GR . . . .
H10B H 0.4351 0.3702 0.8687 0.219 Uiso 1 1 calc GR . . . .
H10C H 0.4268 0.4433 0.8244 0.219 Uiso 1 1 calc GR . . . .
C11 C 1.1368(8) 0.2427(4) 0.7996(4) 0.0683(17) Uani 1 1 d . . . . .
C12 C 1.2545(10) 0.1909(5) 0.8321(5) 0.096(3) Uani 1 1 d . . . . .
H12A H 1.3372 0.1866 0.8007 0.144 Uiso 1 1 calc GR . . . .
H12B H 1.2032 0.1450 0.8354 0.144 Uiso 1 1 calc GR . . . .
H12C H 1.3018 0.2063 0.8819 0.144 Uiso 1 1 calc GR . . . .
C13 C 1.0697(8) 0.4798(4) 0.8231(4) 0.0621(15) Uani 1 1 d . . . . .
C14 C 1.1476(10) 0.5369(4) 0.8711(5) 0.083(2) Uani 1 1 d . . . . .
H14A H 1.0963 0.5820 0.8563 0.125 Uiso 1 1 calc GR . . . .
H14B H 1.2596 0.5394 0.8657 0.125 Uiso 1 1 calc GR . . . .
H14C H 1.1384 0.5270 0.9230 0.125 Uiso 1 1 calc GR . . . .
C15 C 1.1007(8) 0.3715(3) 0.5983(4) 0.0622(16) Uani 1 1 d . . . . .
C16 C 1.1976(12) 0.3756(5) 0.5383(5) 0.092(2) Uani 1 1 d . . . . .
H16A H 1.1489 0.4087 0.5002 0.137 Uiso 1 1 calc GR . . . .
H16B H 1.2041 0.3287 0.5162 0.137 Uiso 1 1 calc GR . . . .
H16C H 1.3041 0.3919 0.5586 0.137 Uiso 1 1 calc GR . . . .
Sb1 Sb 0.27027(6) 0.14916(3) 0.58229(3) 0.07335(18) Uani 1 1 d . . . . .
F1 F 0.0613(6) 0.1850(3) 0.5785(4) 0.126(2) Uani 1 1 d . . . . .
F2 F 0.2442(7) 0.0946(3) 0.6678(3) 0.1153(17) Uani 1 1 d . . . . .
F3 F 0.1944(9) 0.0719(3) 0.5222(4) 0.144(2) Uani 1 1 d . . . . .
F4 F 0.4810(7) 0.1167(4) 0.5893(4) 0.137(2) Uani 1 1 d . . . . .
F5 F 0.2957(8) 0.2043(3) 0.4980(3) 0.130(2) Uani 1 1 d . . . . .
F6 F 0.3424(7) 0.2276(3) 0.6439(3) 0.1161(18) Uani 1 1 d . . . . .
Sb2 Sb 1.24174(11) 0.58446(3) 0.63338(4) 0.1106(3) Uani 1 1 d . . . . .
F7 F 1.0331(12) 0.5471(7) 0.6315(9) 0.294(8) Uani 1 1 d . . . . .
F8 F 1.1455(18) 0.6715(3) 0.5970(4) 0.246(6) Uani 1 1 d . . . . .
F9 F 1.2023(12) 0.5560(4) 0.5345(4) 0.175(3) Uani 1 1 d . . . . .
F10 F 1.417(2) 0.6223(15) 0.6260(15) 0.523(19) Uani 1 1 d . . . . .
F11 F 1.253(4) 0.6153(5) 0.7272(5) 0.512(19) Uani 1 1 d . . . . .
F12 F 1.3081(8) 0.4945(3) 0.6717(5) 0.149(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
Ru1 N1 2.066(5) . ?
Ru1 N2 2.090(6) . ?
Ru1 N3 2.091(6) . ?
Ru1 C1 2.204(6) . ?
Ru1 C2 2.180(6) . ?
Ru1 C3 2.184(6) . ?
Ru1 C4 2.213(6) . ?
Ru1 C6 2.193(6) . ?
Ru1 C7 2.176(6) . ?
N1 C11 1.125(8) . ?
N2 C13 1.115(8) . ?
N3 C15 1.094(8) . ?
C1 C2 1.410(8) . ?
C1 C7 1.434(9) . ?
C1 C8 1.510(9) . ?
C2 H2 0.9300 . ?
C2 C3 1.405(9) . ?
C3 H3 0.9300 . ?
C3 C4 1.399(9) . ?
C4 C5 1.500(10) . ?
C4 C6 1.435(11) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6 0.9300 . ?
C6 C7 1.386(10) . ?
C7 H7 0.9300 . ?
C8 H8 0.9800 . ?
C8 C9 1.498(11) . ?
C8 C10 1.498(11) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.435(10) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.452(9) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C16 1.444(10) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
Sb1 F1 1.866(5) . ?
Sb1 F2 1.874(5) . ?
Sb1 F3 1.844(5) . ?
Sb1 F4 1.852(6) . ?
Sb1 F5 1.860(6) . ?
Sb1 F6 1.869(5) . ?
Sb2 F7 1.877(10) . ?
Sb2 F8 1.877(8) . ?
Sb2 F9 1.822(7) . ?
Sb2 F10 1.654(13) . ?
Sb2 F11 1.759(8) . ?
Sb2 F12 1.857(6) . ?

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
N1 Ru1 N2 86.7(2) . . ?
N1 Ru1 N3 85.1(2) . . ?
N1 Ru1 C1 116.8(2) . . ?
N1 Ru1 C2 91.8(2) . . ?
N1 Ru1 C3 92.7(2) . . ?
N1 Ru1 C4 118.5(3) . . ?
N1 Ru1 C6 156.5(3) . . ?
N1 Ru1 C7 155.0(2) . . ?
N2 Ru1 N3 87.7(2) . . ?
N2 Ru1 C1 91.7(2) . . ?
N2 Ru1 C2 119.4(2) . . ?
N2 Ru1 C3 156.9(2) . . ?
N2 Ru1 C4 154.4(3) . . ?
N2 Ru1 C6 116.6(3) . . ?
N2 Ru1 C7 91.3(2) . . ?
N3 Ru1 C1 158.0(2) . . ?
N3 Ru1 C2 152.6(2) . . ?
N3 Ru1 C3 115.3(2) . . ?
N3 Ru1 C4 89.9(2) . . ?
N3 Ru1 C6 92.5(3) . . ?
N3 Ru1 C7 119.8(2) . . ?
C1 Ru1 C4 81.2(3) . . ?
C2 Ru1 C1 37.5(2) . . ?
C2 Ru1 C3 37.6(2) . . ?
C2 Ru1 C4 67.8(3) . . ?
C2 Ru1 C6 79.7(2) . . ?
C3 Ru1 C1 68.0(2) . . ?
C3 Ru1 C4 37.1(3) . . ?
C3 Ru1 C6 67.2(3) . . ?
C6 Ru1 C1 68.2(3) . . ?
C6 Ru1 C4 38.0(3) . . ?
C7 Ru1 C1 38.2(2) . . ?
C7 Ru1 C2 67.6(2) . . ?
C7 Ru1 C3 79.5(3) . . ?
C7 Ru1 C4 67.9(3) . . ?
C7 Ru1 C6 37.0(3) . . ?
C11 N1 Ru1 176.7(6) . . ?
C13 N2 Ru1 174.6(5) . . ?
C15 N3 Ru1 176.8(6) . . ?
C2 C1 Ru1 70.3(3) . . ?
C2 C1 C7 116.8(6) . . ?
C2 C1 C8 123.3(6) . . ?
C7 C1 Ru1 69.8(4) . . ?
C7 C1 C8 119.9(6) . . ?
C8 C1 Ru1 129.9(5) . . ?
Ru1 C2 H2 129.7 . . ?
C1 C2 Ru1 72.2(3) . . ?
C1 C2 H2 119.3 . . ?
C3 C2 Ru1 71.3(3) . . ?
C3 C2 C1 121.4(6) . . ?
C3 C2 H2 119.3 . . ?
Ru1 C3 H3 129.8 . . ?
C2 C3 Ru1 71.1(3) . . ?
C2 C3 H3 119.1 . . ?
C4 C3 Ru1 72.6(4) . . ?
C4 C3 C2 121.8(6) . . ?
C4 C3 H3 119.1 . . ?
C3 C4 Ru1 70.3(3) . . ?
C3 C4 C5 120.3(7) . . ?
C3 C4 C6 117.5(6) . . ?
C5 C4 Ru1 128.1(5) . . ?
C6 C4 Ru1 70.2(4) . . ?
C6 C4 C5 122.1(7) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Ru1 C6 H6 130.4 . . ?
C4 C6 Ru1 71.7(4) . . ?
C4 C6 H6 119.7 . . ?
C7 C6 Ru1 70.8(4) . . ?
C7 C6 C4 120.7(6) . . ?
C7 C6 H6 119.7 . . ?
Ru1 C7 H7 129.3 . . ?
C1 C7 Ru1 72.0(3) . . ?
C1 C7 H7 119.1 . . ?
C6 C7 Ru1 72.2(4) . . ?
C6 C7 C1 121.9(6) . . ?
C6 C7 H7 119.1 . . ?
C1 C8 H8 107.7 . . ?
C9 C8 C1 114.0(6) . . ?
C9 C8 H8 107.7 . . ?
C10 C8 C1 107.3(7) . . ?
C10 C8 H8 107.7 . . ?
C10 C8 C9 112.2(8) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N1 C11 C12 179.0(8) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N2 C13 C14 178.7(8) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N3 C15 C16 178.5(8) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
F1 Sb1 F2 89.7(3) . . ?
F1 Sb1 F6 87.7(3) . . ?
F3 Sb1 F1 91.1(3) . . ?
F3 Sb1 F2 88.8(3) . . ?
F3 Sb1 F4 91.5(4) . . ?
F3 Sb1 F5 91.7(3) . . ?
F3 Sb1 F6 178.7(3) . . ?
F4 Sb1 F1 177.4(3) . . ?
F4 Sb1 F2 90.0(3) . . ?
F4 Sb1 F5 90.3(3) . . ?
F4 Sb1 F6 89.7(3) . . ?
F5 Sb1 F1 90.0(3) . . ?
F5 Sb1 F2 179.3(3) . . ?
F5 Sb1 F6 88.8(3) . . ?
F6 Sb1 F2 90.6(3) . . ?
F8 Sb2 F7 87.9(5) . . ?
F9 Sb2 F7 81.2(6) . . ?
F9 Sb2 F8 84.9(3) . . ?
F9 Sb2 F12 95.5(3) . . ?
F10 Sb2 F7 173.5(9) . . ?
F10 Sb2 F8 87.0(11) . . ?
F10 Sb2 F9 94.4(10) . . ?
F10 Sb2 F11 91.1(13) . . ?
F10 Sb2 F12 101.0(10) . . ?
F11 Sb2 F7 92.9(10) . . ?
F11 Sb2 F8 90.4(6) . . ?
F11 Sb2 F9 172.6(10) . . ?
F11 Sb2 F12 88.4(5) . . ?
F12 Sb2 F7 84.2(4) . . ?
F12 Sb2 F8 171.9(5) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: '
_exptl_crystal_description       ??
####################################################################### 
# 
# 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_zys1459
_audit_block_doi                 10.5517/cc1jrzz7
_database_code_depnum_ccdc_archive 'CCDC 1423240'
_audit_update_record             
;
2015-09-09 deposited with the CCDC.
2016-01-12 downloaded from the CCDC.
;
_audit_creation_date             2014-12-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.12.26 svn.r3119 for OlexSys, GUI svn.r4973)
;
_shelxl_version_number           2014-1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C20 H18 O'
_chemical_formula_sum            'C20 H18 O'
_chemical_formula_weight         274.34
_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      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                   9.7368(3)
_cell_length_b                   8.7212(3)
_cell_length_c                   17.6929(5)
_cell_angle_alpha                90
_cell_angle_beta                 97.340(3)
_cell_angle_gamma                90
_cell_volume                     1490.12(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2660
_cell_measurement_temperature    293
_cell_measurement_theta_max      26.7820
_cell_measurement_theta_min      4.1890
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.073
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.52211
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            ??
_exptl_crystal_density_diffrn    1.223
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             584
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0270
_diffrn_reflns_av_unetI/netI     0.0312
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.882
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            10078
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.882
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.143
_diffrn_reflns_theta_min         3.447
_diffrn_ambient_temperature      293
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 15.9595
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.882
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   -1.00   83.00   1.0000   11.0300
omega____ theta____ kappa____ phi______ frames
    -       15.5694   57.0000   90.0000 84

#__ type_ start__ end____ width___ exp.time_
  2 omega  -14.00   87.00   1.0000   11.0300
omega____ theta____ kappa____ phi______ frames
    -       15.5694   19.0000  120.0000 101

#__ type_ start__ end____ width___ exp.time_
  3 omega  -51.00    7.00   1.0000   11.0300
omega____ theta____ kappa____ phi______ frames
    -       15.5694  -38.0000  -90.0000 58

#__ type_ start__ end____ width___ exp.time_
  4 omega    9.00   83.00   1.0000   11.0300
omega____ theta____ kappa____ phi______ frames
    -       15.5694   57.0000 -180.0000 74
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'New Gemini, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0730086000
_diffrn_orient_matrix_UB_12      0.0036476000
_diffrn_orient_matrix_UB_13      -0.0090849000
_diffrn_orient_matrix_UB_21      -0.0073160000
_diffrn_orient_matrix_UB_22      -0.0007721000
_diffrn_orient_matrix_UB_23      0.0393799000
_diffrn_orient_matrix_UB_31      0.0032285000
_diffrn_orient_matrix_UB_32      0.0812408000
_diffrn_orient_matrix_UB_33      0.0007917000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2514
_reflns_number_total             3538
_reflns_odcompleteness_completeness 99.60
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2008)'
_refine_diff_density_max         0.176
_refine_diff_density_min         -0.199
_refine_diff_density_rms         0.032
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     191
_refine_ls_number_reflns         3538
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0758
_refine_ls_R_factor_gt           0.0501
_refine_ls_restrained_S_all      1.050
_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)+(0.0570P)²+0.2300P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1216
_refine_ls_wR_factor_ref         0.1374
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Others
 Fixed Uiso: H4(0.059) H1A(0.078) H1B(0.078) H1C(0.078) H20(0.061) H5(0.069)
 H7(0.067) H13A(0.065) H13B(0.065) H19(0.07) H18(0.073) H6(0.073) H16(0.072)
 H17(0.084) H12A(0.085) H12B(0.085) H11A(0.092) H11B(0.092)
 Fixed X: H4(0.0957) H1A(0.1107) H1B(0.234) H1C(0.2633) H20(0.5135) H5(0.0456)
 H7(0.1825) H13A(0.4581) H13B(0.45) H19(0.5974) H18(0.4573) H6(0.0878)
 H16(0.1486) H17(0.2318) H12A(0.4433) H12B(0.3477) H11A(0.1819) H11B(0.2678)
 Fixed Y: H4(0.4768) H1A(0.6991) H1B(0.7388) H1C(0.6939) H20(0.5718)
 H5(0.2448) H7(0.0151) H13A(0.2623) H13B(0.1832) H19(0.722) H18(0.7855)
 H6(0.0178) H16(0.5431) H17(0.6989) H12A(0.0129) H12B(-0.0312) H11A(-0.0105)
 H11B(0.1067)
 Fixed Z: H4(0.6315) H1A(0.5222) H1B(0.4766) H1C(0.563) H20(0.4268) H5(0.6858)
 H7(0.5138) H13A(0.399) H13B(0.4784) H19(0.336) H18(0.2256) H6(0.628)
 H16(0.2959) H17(0.2065) H12A(0.3617) H12B(0.4239) H11A(0.3256) H11B(0.2827)
;
_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 0.05261(13) 0.25433(14) 0.34087(7) 0.0646(4) Uani 1 1 d . . . . .
C2 C 0.21505(14) 0.51051(16) 0.49431(8) 0.0396(3) Uani 1 1 d . . . . .
C3 C 0.17152(15) 0.38396(16) 0.54019(8) 0.0408(3) Uani 1 1 d . . . . .
C15 C 0.32107(15) 0.54266(16) 0.37212(8) 0.0404(3) Uani 1 1 d . . . . .
C14 C 0.26506(14) 0.45294(16) 0.43259(8) 0.0390(3) Uani 1 1 d . . . . .
C8 C 0.19819(15) 0.24501(16) 0.50548(8) 0.0425(3) Uani 1 1 d . . . . .
C4 C 0.11374(16) 0.38476(19) 0.60804(8) 0.0489(4) Uani 1 1 d . . . . .
H4 H 0.0957 0.4768 0.6315 0.059 Uiso 1 1 calc R . . . .
C9 C 0.26096(15) 0.27851(16) 0.43267(8) 0.0419(3) Uani 1 1 d . . . . .
C1 C 0.20485(17) 0.67531(17) 0.51596(9) 0.0522(4) Uani 1 1 d . . . . .
H1A H 0.1107 0.6991 0.5222 0.078 Uiso 1 1 calc GR . . . .
H1B H 0.2340 0.7388 0.4766 0.078 Uiso 1 1 calc GR . . . .
H1C H 0.2633 0.6939 0.5630 0.078 Uiso 1 1 calc GR . . . .
C10 C 0.16698(18) 0.20992(18) 0.36397(9) 0.0489(4) Uani 1 1 d . . . . .
C20 C 0.45593(16) 0.59669(18) 0.38247(9) 0.0507(4) Uani 1 1 d . . . . .
H20 H 0.5135 0.5718 0.4268 0.061 Uiso 1 1 calc R . . . .
C5 C 0.08360(18) 0.2458(2) 0.64014(9) 0.0576(5) Uani 1 1 d . . . . .
H5 H 0.0456 0.2448 0.6858 0.069 Uiso 1 1 calc R . . . .
C7 C 0.16625(18) 0.10749(19) 0.53734(10) 0.0558(4) Uani 1 1 d . . . . .
H7 H 0.1825 0.0151 0.5138 0.067 Uiso 1 1 calc R . . . .
C13 C 0.40090(17) 0.19977(19) 0.42785(10) 0.0539(4) Uani 1 1 d . . . . .
H13A H 0.4581 0.2623 0.3990 0.065 Uiso 1 1 calc R . . . .
H13B H 0.4500 0.1832 0.4784 0.065 Uiso 1 1 calc R . . . .
C19 C 0.50648(18) 0.6869(2) 0.32801(10) 0.0586(4) Uani 1 1 d . . . . .
H19 H 0.5974 0.7220 0.3360 0.070 Uiso 1 1 calc R . . . .
C18 C 0.4232(2) 0.7248(2) 0.26221(10) 0.0609(5) Uani 1 1 d . . . . .
H18 H 0.4573 0.7855 0.2256 0.073 Uiso 1 1 calc R . . . .
C6 C 0.10906(19) 0.1097(2) 0.60556(10) 0.0606(5) Uani 1 1 d . . . . .
H6 H 0.0878 0.0178 0.6280 0.073 Uiso 1 1 calc R . . . .
C16 C 0.23879(18) 0.5802(2) 0.30488(9) 0.0602(5) Uani 1 1 d . . . . .
H16 H 0.1486 0.5431 0.2959 0.072 Uiso 1 1 calc R . . . .
C17 C 0.2891(2) 0.6724(2) 0.25075(10) 0.0702(5) Uani 1 1 d . . . . .
H17 H 0.2318 0.6989 0.2065 0.084 Uiso 1 1 calc R . . . .
C12 C 0.3670(2) 0.0470(2) 0.38774(12) 0.0710(5) Uani 1 1 d . . . . .
H12A H 0.4433 0.0129 0.3617 0.085 Uiso 1 1 calc R . . . .
H12B H 0.3477 -0.0312 0.4239 0.085 Uiso 1 1 calc R . . . .
C11 C 0.2412(2) 0.0792(2) 0.33190(12) 0.0768(6) Uani 1 1 d . . . . .
H11A H 0.1819 -0.0105 0.3256 0.092 Uiso 1 1 calc R . . . .
H11B H 0.2678 0.1067 0.2827 0.092 Uiso 1 1 calc R . . . .


_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 C10 1.200(2) . ?
C2 C3 1.4645(19) . ?
C2 C14 1.3482(19) . ?
C2 C1 1.494(2) . ?
C3 C8 1.398(2) . ?
C3 C4 1.3894(19) . ?
C15 C14 1.4843(19) . ?
C15 C20 1.385(2) . ?
C15 C16 1.386(2) . ?
C14 C9 1.522(2) . ?
C8 C9 1.523(2) . ?
C8 C7 1.378(2) . ?
C4 H4 0.9300 . ?
C4 C5 1.385(2) . ?
C9 C10 1.545(2) . ?
C9 C13 1.538(2) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C10 C11 1.499(2) . ?
C20 H20 0.9300 . ?
C20 C19 1.382(2) . ?
C5 H5 0.9300 . ?
C5 C6 1.372(2) . ?
C7 H7 0.9300 . ?
C7 C6 1.393(2) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C12 1.526(2) . ?
C19 H19 0.9300 . ?
C19 C18 1.371(2) . ?
C18 H18 0.9300 . ?
C18 C17 1.374(3) . ?
C6 H6 0.9300 . ?
C16 H16 0.9300 . ?
C16 C17 1.387(2) . ?
C17 H17 0.9300 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C11 1.499(3) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?

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
C3 C2 C1 123.33(12) . . ?
C14 C2 C3 109.17(12) . . ?
C14 C2 C1 127.49(13) . . ?
C8 C3 C2 109.06(12) . . ?
C4 C3 C2 130.77(13) . . ?
C4 C3 C8 120.16(13) . . ?
C20 C15 C14 120.89(13) . . ?
C20 C15 C16 117.87(14) . . ?
C16 C15 C14 121.19(13) . . ?
C2 C14 C15 126.26(13) . . ?
C2 C14 C9 111.05(12) . . ?
C15 C14 C9 122.67(12) . . ?
C3 C8 C9 108.81(12) . . ?
C7 C8 C3 120.70(14) . . ?
C7 C8 C9 130.48(14) . . ?
C3 C4 H4 120.6 . . ?
C5 C4 C3 118.70(15) . . ?
C5 C4 H4 120.6 . . ?
C14 C9 C8 101.89(11) . . ?
C14 C9 C10 113.53(12) . . ?
C14 C9 C13 115.01(13) . . ?
C8 C9 C10 109.25(12) . . ?
C8 C9 C13 114.54(12) . . ?
C13 C9 C10 102.91(12) . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C10 C9 124.98(14) . . ?
O1 C10 C11 125.97(16) . . ?
C11 C10 C9 109.05(15) . . ?
C15 C20 H20 119.4 . . ?
C19 C20 C15 121.16(15) . . ?
C19 C20 H20 119.4 . . ?
C4 C5 H5 119.5 . . ?
C6 C5 C4 120.92(15) . . ?
C6 C5 H5 119.5 . . ?
C8 C7 H7 120.7 . . ?
C8 C7 C6 118.60(15) . . ?
C6 C7 H7 120.7 . . ?
C9 C13 H13A 110.5 . . ?
C9 C13 H13B 110.5 . . ?
H13A C13 H13B 108.7 . . ?
C12 C13 C9 105.97(15) . . ?
C12 C13 H13A 110.5 . . ?
C12 C13 H13B 110.5 . . ?
C20 C19 H19 119.9 . . ?
C18 C19 C20 120.30(16) . . ?
C18 C19 H19 119.9 . . ?
C19 C18 H18 120.2 . . ?
C19 C18 C17 119.51(16) . . ?
C17 C18 H18 120.2 . . ?
C5 C6 C7 120.91(15) . . ?
C5 C6 H6 119.5 . . ?
C7 C6 H6 119.5 . . ?
C15 C16 H16 119.6 . . ?
C15 C16 C17 120.88(16) . . ?
C17 C16 H16 119.6 . . ?
C18 C17 C16 120.26(17) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C13 C12 H12A 110.8 . . ?
C13 C12 H12B 110.8 . . ?
H12A C12 H12B 108.9 . . ?
C11 C12 C13 104.65(15) . . ?
C11 C12 H12A 110.8 . . ?
C11 C12 H12B 110.8 . . ?
C10 C11 H11A 110.4 . . ?
C10 C11 H11B 110.4 . . ?
C12 C11 C10 106.61(15) . . ?
C12 C11 H11A 110.4 . . ?
C12 C11 H11B 110.4 . . ?
H11A C11 H11B 108.6 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: '
_exptl_crystal_description       ??
