# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2019

####################################################################### 
# 
# 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_mo_d8v19013_0m
_database_code_depnum_ccdc_archive 'CCDC 1888696'
loop_
_audit_author_name
_audit_author_address
'Min Shi'
;Shanghai Institute of Organic Chemistry
China
;
_audit_update_record             
;
2019-01-04 deposited with the CCDC.	2019-06-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C17 H14 Cl'
_chemical_formula_weight         253.73

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.013(5)
_cell_length_b                   12.073(6)
_cell_length_c                   12.827(6)
_cell_angle_alpha                111.893(15)
_cell_angle_beta                 107.027(17)
_cell_angle_gamma                93.776(19)
_cell_volume                     1348.7(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4558
_cell_measurement_theta_min      5.123
_cell_measurement_theta_max      51.542

_exptl_crystal_description       prismatic
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.250
_exptl_crystal_F_000             532
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    0.262
_shelx_estimated_absorpt_T_min   0.962
_shelx_estimated_absorpt_T_max   0.979
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6711
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            26444
_diffrn_reflns_av_unetI/netI     0.0521
_diffrn_reflns_av_R_equivalents  0.0614
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.170
_diffrn_reflns_theta_max         25.998
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             5294
_reflns_number_gt                3172
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 ? 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0745P)²+0.6719P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       ?
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         5294
_refine_ls_number_parameters     330
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1127
_refine_ls_R_factor_gt           0.0594
_refine_ls_wR_factor_ref         0.1823
_refine_ls_wR_factor_gt          0.1447
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
Cl1 Cl 0.90936(11) 0.91765(9) 0.83703(8) 0.0743(3) Uani 1 1 d . . . . .
C1 C 1.1231(3) 0.8803(3) 0.4949(3) 0.0529(8) Uani 1 1 d . . . . .
H1 H 1.1900 0.9518 0.5258 0.063 Uiso 1 1 calc R U . . .
C2 C 1.0332(3) 0.8401(3) 0.5547(3) 0.0455(7) Uani 1 1 d . . . . .
C3 C 1.0229(3) 0.8999(3) 0.6654(3) 0.0519(8) Uani 1 1 d . . . . .
H3 H 1.0791 0.9762 0.7177 0.062 Uiso 1 1 calc R U . . .
C4 C 0.9257(3) 0.8431(3) 0.6974(3) 0.0497(8) Uani 1 1 d . . . . .
C5 C 0.8417(3) 0.7287(3) 0.6211(3) 0.0466(7) Uani 1 1 d . . . . .
H5 H 0.7775 0.6927 0.6446 0.056 Uiso 1 1 calc R U . . .
C6 C 0.8540(3) 0.6686(3) 0.5100(3) 0.0430(7) Uani 1 1 d . . . . .
H6 H 0.7985 0.5919 0.4584 0.052 Uiso 1 1 calc R U . . .
C7 C 0.9501(3) 0.7240(3) 0.4760(3) 0.0402(7) Uani 1 1 d . . . . .
C8 C 0.9815(3) 0.6859(3) 0.3632(3) 0.0426(7) Uani 1 1 d . . . . .
C9 C 1.0785(3) 0.7770(3) 0.3731(3) 0.0483(8) Uani 1 1 d . . . . .
C10 C 1.1442(4) 0.7822(3) 0.2830(3) 0.0619(9) Uani 1 1 d . . . . .
H10A H 1.1176 0.7042 0.2165 0.093 Uiso 1 1 calc R U . . .
H10B H 1.2460 0.8033 0.3197 0.093 Uiso 1 1 calc R U . . .
H10C H 1.1108 0.8425 0.2555 0.093 Uiso 1 1 calc R U . . .
C11 C 0.9186(3) 0.5653(3) 0.2625(3) 0.0423(7) Uani 1 1 d . . . . .
C12 C 0.9159(3) 0.4586(3) 0.2820(3) 0.0482(8) Uani 1 1 d . . . . .
H12 H 0.9534 0.4644 0.3597 0.058 Uiso 1 1 calc R U . . .
C13 C 0.8589(3) 0.3453(3) 0.1889(3) 0.0505(8) Uani 1 1 d . . . . .
H13 H 0.8589 0.2765 0.2053 0.061 Uiso 1 1 calc R U . . .
C14 C 0.8016(3) 0.3314(3) 0.0710(3) 0.0527(8) Uani 1 1 d . . . . .
C15 C 0.8026(3) 0.4369(3) 0.0513(3) 0.0573(9) Uani 1 1 d . . . . .
H15 H 0.7643 0.4306 -0.0265 0.069 Uiso 1 1 calc R U . . .
C16 C 0.8592(3) 0.5515(3) 0.1442(3) 0.0509(8) Uani 1 1 d . . . . .
H16 H 0.8575 0.6202 0.1275 0.061 Uiso 1 1 calc R U . . .
C17 C 0.7423(4) 0.2069(3) -0.0298(3) 0.0751(11) Uani 1 1 d . . . . .
H17A H 0.8141 0.1580 -0.0277 0.113 Uiso 1 1 calc R U . . .
H17B H 0.7138 0.2143 -0.1048 0.113 Uiso 1 1 calc R U . . .
H17C H 0.6613 0.1689 -0.0211 0.113 Uiso 1 1 calc R U . . .
Cl2 Cl 0.43994(12) 0.91210(9) 0.84140(8) 0.0781(4) Uani 1 1 d . . . . .
C18 C 0.6073(3) 0.8687(3) 0.4733(3) 0.0466(7) Uani 1 1 d . . . . .
H18 H 0.6653 0.9431 0.4965 0.056 Uiso 1 1 calc R U . . .
C19 C 0.5330(3) 0.8296(3) 0.5440(3) 0.0430(7) Uani 1 1 d . . . . .
C20 C 0.5301(3) 0.8924(3) 0.6573(3) 0.0489(8) Uani 1 1 d . . . . .
H20 H 0.5789 0.9725 0.7034 0.059 Uiso 1 1 calc R U . . .
C21 C 0.4516(4) 0.8320(3) 0.7004(3) 0.0519(8) Uani 1 1 d . . . . .
C22 C 0.3821(4) 0.7119(3) 0.6348(3) 0.0587(9) Uani 1 1 d . . . . .
H22 H 0.3323 0.6735 0.6669 0.070 Uiso 1 1 calc R U . . .
C23 C 0.3866(3) 0.6490(3) 0.5216(3) 0.0509(8) Uani 1 1 d . . . . .
H23 H 0.3408 0.5679 0.4775 0.061 Uiso 1 1 calc R U . . .
C24 C 0.4604(3) 0.7079(3) 0.4742(3) 0.0417(7) Uani 1 1 d . . . . .
C25 C 0.4824(3) 0.6658(3) 0.3574(2) 0.0411(7) Uani 1 1 d . . . . .
C26 C 0.5658(3) 0.7595(3) 0.3571(3) 0.0442(7) Uani 1 1 d . . . . .
C27 C 0.6147(4) 0.7650(3) 0.2585(3) 0.0578(9) Uani 1 1 d . . . . .
H27A H 0.7154 0.7673 0.2800 0.087 Uiso 1 1 calc R U . . .
H27B H 0.5943 0.8369 0.2467 0.087 Uiso 1 1 calc R U . . .
H27C H 0.5655 0.6942 0.1859 0.087 Uiso 1 1 calc R U . . .
C28 C 0.4207(3) 0.5429(3) 0.2602(2) 0.0410(7) Uani 1 1 d . . . . .
C29 C 0.2785(3) 0.4874(3) 0.2285(3) 0.0456(7) Uani 1 1 d . . . . .
H29 H 0.2225 0.5281 0.2707 0.055 Uiso 1 1 calc R U . . .
C30 C 0.2204(3) 0.3741(3) 0.1363(3) 0.0512(8) Uani 1 1 d . . . . .
H30 H 0.1254 0.3407 0.1168 0.061 Uiso 1 1 calc R U . . .
C31 C 0.2994(3) 0.3084(3) 0.0718(3) 0.0479(8) Uani 1 1 d . . . . .
C32 C 0.4409(3) 0.3629(3) 0.1032(3) 0.0538(8) Uani 1 1 d . . . . .
H32 H 0.4967 0.3217 0.0611 0.065 Uiso 1 1 calc R U . . .
C33 C 0.5001(3) 0.4769(3) 0.1956(3) 0.0485(8) Uani 1 1 d . . . . .
H33 H 0.5951 0.5101 0.2149 0.058 Uiso 1 1 calc R U . . .
C34 C 0.2350(4) 0.1842(3) -0.0288(3) 0.0670(10) Uani 1 1 d . . . . .
H34A H 0.2694 0.1231 -0.0030 0.100 Uiso 1 1 calc R U . . .
H34B H 0.2614 0.1794 -0.0963 0.100 Uiso 1 1 calc R U . . .
H34C H 0.1331 0.1711 -0.0512 0.100 Uiso 1 1 calc R U . . .


_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
Cl1 C4 1.742(3) . ?
C1 C2 1.502(4) . ?
C1 C9 1.504(4) . ?
C1 H1 0.9300 . ?
C2 C3 1.371(4) . ?
C2 C7 1.405(4) . ?
C3 C4 1.394(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.389(4) . ?
C5 C6 1.384(4) . ?
C5 H5 0.9300 . ?
C6 C7 1.394(4) . ?
C6 H6 0.9300 . ?
C7 C8 1.481(4) . ?
C8 C9 1.362(4) . ?
C8 C11 1.479(4) . ?
C9 C10 1.505(4) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C16 1.398(4) . ?
C11 C12 1.400(4) . ?
C12 C13 1.380(4) . ?
C12 H12 0.9300 . ?
C13 C14 1.390(4) . ?
C13 H13 0.9300 . ?
C14 C15 1.387(5) . ?
C14 C17 1.506(4) . ?
C15 C16 1.389(4) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
Cl2 C21 1.747(3) . ?
C18 C26 1.494(4) . ?
C18 C19 1.506(4) . ?
C18 H18 0.9300 . ?
C19 C20 1.375(4) . ?
C19 C24 1.409(4) . ?
C20 C21 1.392(4) . ?
C20 H20 0.9300 . ?
C21 C22 1.382(4) . ?
C22 C23 1.381(4) . ?
C22 H22 0.9300 . ?
C23 C24 1.393(4) . ?
C23 H23 0.9300 . ?
C24 C25 1.481(4) . ?
C25 C26 1.363(4) . ?
C25 C28 1.479(4) . ?
C26 C27 1.504(4) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 C33 1.389(4) . ?
C28 C29 1.405(4) . ?
C29 C30 1.377(4) . ?
C29 H29 0.9300 . ?
C30 C31 1.385(4) . ?
C30 H30 0.9300 . ?
C31 C32 1.396(4) . ?
C31 C34 1.507(4) . ?
C32 C33 1.383(4) . ?
C32 H32 0.9300 . ?
C33 H33 0.9300 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 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
C2 C1 C9 103.2(2) . . ?
C2 C1 H1 128.4 . . ?
C9 C1 H1 128.4 . . ?
C3 C2 C7 121.3(3) . . ?
C3 C2 C1 129.8(3) . . ?
C7 C2 C1 108.9(3) . . ?
C2 C3 C4 118.1(3) . . ?
C2 C3 H3 121.0 . . ?
C4 C3 H3 121.0 . . ?
C5 C4 C3 121.9(3) . . ?
C5 C4 Cl1 119.1(2) . . ?
C3 C4 Cl1 119.0(2) . . ?
C6 C5 C4 119.6(3) . . ?
C6 C5 H5 120.2 . . ?
C4 C5 H5 120.2 . . ?
C5 C6 C7 119.5(3) . . ?
C5 C6 H6 120.2 . . ?
C7 C6 H6 120.2 . . ?
C6 C7 C2 119.7(3) . . ?
C6 C7 C8 131.8(3) . . ?
C2 C7 C8 108.4(2) . . ?
C9 C8 C11 128.3(3) . . ?
C9 C8 C7 108.4(3) . . ?
C11 C8 C7 123.2(2) . . ?
C8 C9 C1 110.9(3) . . ?
C8 C9 C10 128.8(3) . . ?
C1 C9 C10 120.2(3) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C16 C11 C12 116.8(3) . . ?
C16 C11 C8 122.3(3) . . ?
C12 C11 C8 120.9(3) . . ?
C13 C12 C11 121.6(3) . . ?
C13 C12 H12 119.2 . . ?
C11 C12 H12 119.2 . . ?
C12 C13 C14 121.6(3) . . ?
C12 C13 H13 119.2 . . ?
C14 C13 H13 119.2 . . ?
C15 C14 C13 117.0(3) . . ?
C15 C14 C17 122.1(3) . . ?
C13 C14 C17 120.9(3) . . ?
C14 C15 C16 122.0(3) . . ?
C14 C15 H15 119.0 . . ?
C16 C15 H15 119.0 . . ?
C15 C16 C11 120.9(3) . . ?
C15 C16 H16 119.5 . . ?
C11 C16 H16 119.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C26 C18 C19 103.6(2) . . ?
C26 C18 H18 128.2 . . ?
C19 C18 H18 128.2 . . ?
C20 C19 C24 121.4(3) . . ?
C20 C19 C18 130.4(3) . . ?
C24 C19 C18 108.2(3) . . ?
C19 C20 C21 117.7(3) . . ?
C19 C20 H20 121.2 . . ?
C21 C20 H20 121.2 . . ?
C22 C21 C20 122.0(3) . . ?
C22 C21 Cl2 119.5(2) . . ?
C20 C21 Cl2 118.5(2) . . ?
C23 C22 C21 120.0(3) . . ?
C23 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C22 C23 C24 119.4(3) . . ?
C22 C23 H23 120.3 . . ?
C24 C23 H23 120.3 . . ?
C23 C24 C19 119.4(3) . . ?
C23 C24 C25 131.7(3) . . ?
C19 C24 C25 108.8(2) . . ?
C26 C25 C28 127.8(3) . . ?
C26 C25 C24 108.0(3) . . ?
C28 C25 C24 124.2(2) . . ?
C25 C26 C18 111.2(3) . . ?
C25 C26 C27 129.1(3) . . ?
C18 C26 C27 119.7(3) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C33 C28 C29 116.8(3) . . ?
C33 C28 C25 121.8(3) . . ?
C29 C28 C25 121.5(3) . . ?
C30 C29 C28 121.4(3) . . ?
C30 C29 H29 119.3 . . ?
C28 C29 H29 119.3 . . ?
C29 C30 C31 121.8(3) . . ?
C29 C30 H30 119.1 . . ?
C31 C30 H30 119.1 . . ?
C30 C31 C32 117.0(3) . . ?
C30 C31 C34 121.5(3) . . ?
C32 C31 C34 121.5(3) . . ?
C33 C32 C31 121.5(3) . . ?
C33 C32 H32 119.2 . . ?
C31 C32 H32 119.2 . . ?
C32 C33 C28 121.5(3) . . ?
C32 C33 H33 119.3 . . ?
C28 C33 H33 119.3 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C9 C1 C2 C3 -176.7(3) . . . . ?
C9 C1 C2 C7 1.9(3) . . . . ?
C7 C2 C3 C4 -1.0(5) . . . . ?
C1 C2 C3 C4 177.5(3) . . . . ?
C2 C3 C4 C5 0.6(5) . . . . ?
C2 C3 C4 Cl1 -179.4(2) . . . . ?
C3 C4 C5 C6 0.1(5) . . . . ?
Cl1 C4 C5 C6 -180.0(2) . . . . ?
C4 C5 C6 C7 -0.3(4) . . . . ?
C5 C6 C7 C2 -0.1(4) . . . . ?
C5 C6 C7 C8 -176.7(3) . . . . ?
C3 C2 C7 C6 0.8(4) . . . . ?
C1 C2 C7 C6 -178.0(3) . . . . ?
C3 C2 C7 C8 178.1(3) . . . . ?
C1 C2 C7 C8 -0.7(3) . . . . ?
C6 C7 C8 C9 175.9(3) . . . . ?
C2 C7 C8 C9 -1.0(3) . . . . ?
C6 C7 C8 C11 -6.5(5) . . . . ?
C2 C7 C8 C11 176.6(3) . . . . ?
C11 C8 C9 C1 -175.2(3) . . . . ?
C7 C8 C9 C1 2.3(3) . . . . ?
C11 C8 C9 C10 2.5(5) . . . . ?
C7 C8 C9 C10 180.0(3) . . . . ?
C2 C1 C9 C8 -2.6(3) . . . . ?
C2 C1 C9 C10 179.5(3) . . . . ?
C9 C8 C11 C16 -49.7(4) . . . . ?
C7 C8 C11 C16 133.2(3) . . . . ?
C9 C8 C11 C12 130.4(3) . . . . ?
C7 C8 C11 C12 -46.7(4) . . . . ?
C16 C11 C12 C13 0.8(4) . . . . ?
C8 C11 C12 C13 -179.3(3) . . . . ?
C11 C12 C13 C14 0.1(5) . . . . ?
C12 C13 C14 C15 -0.8(5) . . . . ?
C12 C13 C14 C17 178.9(3) . . . . ?
C13 C14 C15 C16 0.6(5) . . . . ?
C17 C14 C15 C16 -179.1(3) . . . . ?
C14 C15 C16 C11 0.3(5) . . . . ?
C12 C11 C16 C15 -1.0(4) . . . . ?
C8 C11 C16 C15 179.1(3) . . . . ?
C26 C18 C19 C20 -179.1(3) . . . . ?
C26 C18 C19 C24 1.7(3) . . . . ?
C24 C19 C20 C21 -0.6(4) . . . . ?
C18 C19 C20 C21 -179.7(3) . . . . ?
C19 C20 C21 C22 2.1(5) . . . . ?
C19 C20 C21 Cl2 -177.2(2) . . . . ?
C20 C21 C22 C23 -1.5(5) . . . . ?
Cl2 C21 C22 C23 177.8(3) . . . . ?
C21 C22 C23 C24 -0.6(5) . . . . ?
C22 C23 C24 C19 2.0(5) . . . . ?
C22 C23 C24 C25 -179.2(3) . . . . ?
C20 C19 C24 C23 -1.4(4) . . . . ?
C18 C19 C24 C23 177.9(3) . . . . ?
C20 C19 C24 C25 179.6(3) . . . . ?
C18 C19 C24 C25 -1.1(3) . . . . ?
C23 C24 C25 C26 -178.8(3) . . . . ?
C19 C24 C25 C26 0.0(3) . . . . ?
C23 C24 C25 C28 1.8(5) . . . . ?
C19 C24 C25 C28 -179.3(3) . . . . ?
C28 C25 C26 C18 -179.5(3) . . . . ?
C24 C25 C26 C18 1.1(3) . . . . ?
C28 C25 C26 C27 1.6(5) . . . . ?
C24 C25 C26 C27 -177.7(3) . . . . ?
C19 C18 C26 C25 -1.8(3) . . . . ?
C19 C18 C26 C27 177.2(3) . . . . ?
C26 C25 C28 C33 44.1(5) . . . . ?
C24 C25 C28 C33 -136.6(3) . . . . ?
C26 C25 C28 C29 -135.6(3) . . . . ?
C24 C25 C28 C29 43.7(4) . . . . ?
C33 C28 C29 C30 -1.2(4) . . . . ?
C25 C28 C29 C30 178.5(3) . . . . ?
C28 C29 C30 C31 1.1(5) . . . . ?
C29 C30 C31 C32 -0.8(5) . . . . ?
C29 C30 C31 C34 179.8(3) . . . . ?
C30 C31 C32 C33 0.7(5) . . . . ?
C34 C31 C32 C33 -180.0(3) . . . . ?
C31 C32 C33 C28 -0.8(5) . . . . ?
C29 C28 C33 C32 1.0(4) . . . . ?
C25 C28 C33 C32 -178.7(3) . . . . ?

_refine_diff_density_max         0.502
_refine_diff_density_min         -0.427
_refine_diff_density_rms         0.047

_shelxl_version_number           2013-4



