# Electronic Supplementary Material (ESI) for RSC Advances.
# 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_150422_sk_150421
_database_code_depnum_ccdc_archive 'CCDC 1431902'
_audit_update_record             
;
2015-10-19 deposited with the CCDC.
2016-04-26 downloaded from the CCDC.
;
_audit_creation_date             2015-04-23
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.03.20 svn.r2914 for OlexSys, GUI svn.r4816)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C26 H18 Cl N3 O'
_chemical_formula_sum            'C26 H18 Cl N3 O'
_chemical_formula_weight         423.88
_chemical_melting_point          ?
_chemical_oxdiff_formula         'c10 h10 n2 o8 Cl1'
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'
Cl Cl 0.1480 0.1590 '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'

_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_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'

_cell_length_a                   12.1894(9)
_cell_length_b                   9.6526(7)
_cell_length_c                   20.0169(17)
_cell_angle_alpha                90.00
_cell_angle_beta                 109.306(6)
_cell_angle_gamma                90.00
_cell_volume                     2222.7(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1788
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.4476
_cell_measurement_theta_min      3.0113
_exptl_absorpt_coefficient_mu    0.194
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85118
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.267
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             880
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.2
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0356
_diffrn_reflns_av_unetI/netI     0.0473
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            9063
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.02
_diffrn_ambient_temperature      293.15
_diffrn_detector_area_resol_mean 10.3592
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0135533000
_diffrn_orient_matrix_UB_12      0.0465427000
_diffrn_orient_matrix_UB_13      0.0290480000
_diffrn_orient_matrix_UB_21      -0.0107700000
_diffrn_orient_matrix_UB_22      0.0569120000
_diffrn_orient_matrix_UB_23      -0.0237697000
_diffrn_orient_matrix_UB_31      -0.0581339000
_diffrn_orient_matrix_UB_32      0.0003275000
_diffrn_orient_matrix_UB_33      0.0000974000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                2597
_reflns_number_total             4066
_reflns_odcompleteness_completeness 99.52
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_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    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.260
_refine_diff_density_min         -0.242
_refine_diff_density_rms         0.036
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     285
_refine_ls_number_reflns         4066
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0906
_refine_ls_R_factor_gt           0.0512
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0502P)²+0.4135P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1103
_refine_ls_wR_factor_ref         0.1309
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
2. Restrained distances
 H2B-N2
 0.85 with sigma of 0.02
3.a Rotating group:
 N2(H2A)
3.b Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B)
3.c Aromatic/amide H refined with riding coordinates:
 C8(H8), C9(H9), C10(H10), C11(H11), C12(H12), C16(H16), C17(H17), C19(H19),
 C20(H20), C22(H22), C23(H23), C24(H24), C25(H25), C26(H26)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
Cl1 Cl 0.02747(7) 0.61363(9) -0.14948(3) 0.0769(3) Uani 1 d . . .
O1 O 0.23562(16) 0.67247(19) 0.20081(9) 0.0668(5) Uani 1 d . . .
N1 N 0.8034(2) 0.6020(3) 0.36956(14) 0.0791(8) Uani 1 d . . .
N2 N 0.6268(2) 0.5536(4) 0.47056(12) 0.0858(9) Uani 1 d . . D
H2A H 0.6962 0.5716 0.4704 0.103 Uiso 1 d . . GR
N3 N 0.44281(16) 0.4945(2) 0.39816(10) 0.0540(6) Uani 1 d . . .
C1 C 0.5531(2) 0.5272(3) 0.40449(12) 0.0548(7) Uani 1 d . . .
C2 C 0.5887(2) 0.5356(3) 0.34429(12) 0.0484(6) Uani 1 d . . .
C3 C 0.50913(19) 0.5102(2) 0.27731(12) 0.0430(6) Uani 1 d . . .
C4 C 0.39524(18) 0.4729(2) 0.27113(11) 0.0425(6) Uani 1 d . . .
C5 C 0.36702(19) 0.4662(3) 0.33339(12) 0.0458(6) Uani 1 d . . .
C6 C 0.7079(2) 0.5718(3) 0.35538(13) 0.0551(7) Uani 1 d . . .
C7 C 0.5449(2) 0.5200(2) 0.21266(12) 0.0451(6) Uani 1 d . . .
C8 C 0.6183(3) 0.4220(3) 0.20021(17) 0.0778(9) Uani 1 d . . .
H8 H 0.6502 0.3531 0.2334 0.093 Uiso 1 calc . . R
C9 C 0.6440(3) 0.4274(4) 0.1375(2) 0.0940(11) Uani 1 d . . .
H9 H 0.6934 0.3613 0.1291 0.113 Uiso 1 calc . . R
C10 C 0.5989(3) 0.5265(4) 0.08878(17) 0.0812(10) Uani 1 d . . .
H10 H 0.6162 0.5277 0.0469 0.097 Uiso 1 calc . . R
C11 C 0.5281(3) 0.6244(3) 0.10094(14) 0.0674(8) Uani 1 d . . .
H11 H 0.4975 0.6934 0.0676 0.081 Uiso 1 calc . . R
C12 C 0.5013(2) 0.6218(3) 0.16276(13) 0.0523(6) Uani 1 d . . .
H12 H 0.4532 0.6899 0.1708 0.063 Uiso 1 calc . . R
C13 C 0.30733(19) 0.4447(2) 0.19951(11) 0.0443(6) Uani 1 d . . .
H13A H 0.2515 0.3772 0.2044 0.053 Uiso 1 calc . . R
H13B H 0.3466 0.4049 0.1690 0.053 Uiso 1 calc . . R
C14 C 0.24330(19) 0.5740(3) 0.16502(12) 0.0441(6) Uani 1 d . . .
C15 C 0.19043(19) 0.5794(2) 0.08670(12) 0.0424(6) Uani 1 d . . .
C16 C 0.1799(2) 0.4643(3) 0.04389(13) 0.0548(6) Uani 1 d . . .
H16 H 0.2069 0.3790 0.0644 0.066 Uiso 1 calc . . R
C17 C 0.1302(2) 0.4739(3) -0.02862(13) 0.0576(7) Uani 1 d . . .
H17 H 0.1231 0.3957 -0.0569 0.069 Uiso 1 calc . . R
C18 C 0.0914(2) 0.6001(3) -0.05845(12) 0.0533(7) Uani 1 d . . .
C19 C 0.1001(3) 0.7160(3) -0.01720(14) 0.0699(8) Uani 1 d . . .
H19 H 0.0730 0.8012 -0.0379 0.084 Uiso 1 calc . . R
C20 C 0.1495(2) 0.7045(3) 0.05492(13) 0.0610(7) Uani 1 d . . .
H20 H 0.1555 0.7828 0.0830 0.073 Uiso 1 calc . . R
C21 C 0.24777(19) 0.4274(3) 0.33202(11) 0.0472(6) Uani 1 d . . .
C22 C 0.2055(2) 0.2943(3) 0.31324(13) 0.0570(7) Uani 1 d . . .
H22 H 0.2522 0.2280 0.3021 0.068 Uiso 1 calc . . R
C23 C 0.0942(3) 0.2601(3) 0.31103(14) 0.0658(8) Uani 1 d . . .
H23 H 0.0666 0.1706 0.2990 0.079 Uiso 1 calc . . R
C24 C 0.0245(3) 0.3570(4) 0.32643(15) 0.0757(9) Uani 1 d . . .
H24 H -0.0505 0.3337 0.3245 0.091 Uiso 1 calc . . R
C25 C 0.0652(3) 0.4879(4) 0.34460(17) 0.0828(10) Uani 1 d . . .
H25 H 0.0175 0.5544 0.3546 0.099 Uiso 1 calc . . R
C26 C 0.1770(2) 0.5223(3) 0.34826(15) 0.0693(8) Uani 1 d . . .
H26 H 0.2047 0.6112 0.3620 0.083 Uiso 1 calc . . R
H2B H 0.604(3) 0.545(4) 0.5073(14) 0.107(12) Uiso 1 d . . 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
Cl1 C18 1.733(2) . ?
O1 C14 1.212(3) . ?
N1 C6 1.140(3) . ?
N2 H2A 0.8647 . ?
N2 C1 1.354(3) . ?
N2 H2B 0.874(18) . ?
N3 C1 1.346(3) . ?
N3 C5 1.348(3) . ?
C1 C2 1.411(3) . ?
C2 C3 1.392(3) . ?
C2 C6 1.439(4) . ?
C3 C4 1.400(3) . ?
C3 C7 1.499(3) . ?
C4 C5 1.400(3) . ?
C4 C13 1.504(3) . ?
C5 C21 1.493(3) . ?
C7 C8 1.380(4) . ?
C7 C12 1.377(3) . ?
C8 H8 0.9300 . ?
C8 C9 1.392(4) . ?
C9 H9 0.9300 . ?
C9 C10 1.347(5) . ?
C10 H10 0.9300 . ?
C10 C11 1.355(4) . ?
C11 H11 0.9300 . ?
C11 C12 1.380(3) . ?
C12 H12 0.9300 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C14 1.512(3) . ?
C14 C15 1.486(3) . ?
C15 C16 1.382(3) . ?
C15 C20 1.380(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.379(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.370(4) . ?
C18 C19 1.374(4) . ?
C19 H19 0.9300 . ?
C19 C20 1.373(4) . ?
C20 H20 0.9300 . ?
C21 C22 1.389(4) . ?
C21 C26 1.369(4) . ?
C22 H22 0.9300 . ?
C22 C23 1.383(4) . ?
C23 H23 0.9300 . ?
C23 C24 1.365(4) . ?
C24 H24 0.9300 . ?
C24 C25 1.362(5) . ?
C25 H25 0.9300 . ?
C25 C26 1.381(4) . ?
C26 H26 0.9300 . ?

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
H2A N2 H2B 127.6 . . ?
C1 N2 H2A 111.5 . . ?
C1 N2 H2B 121(2) . . ?
C1 N3 C5 118.94(19) . . ?
N2 C1 C2 122.1(2) . . ?
N3 C1 N2 117.1(2) . . ?
N3 C1 C2 120.8(2) . . ?
C1 C2 C6 117.5(2) . . ?
C3 C2 C1 120.0(2) . . ?
C3 C2 C6 122.5(2) . . ?
C2 C3 C4 119.0(2) . . ?
C2 C3 C7 120.8(2) . . ?
C4 C3 C7 120.2(2) . . ?
C3 C4 C5 117.5(2) . . ?
C3 C4 C13 120.27(19) . . ?
C5 C4 C13 122.21(19) . . ?
N3 C5 C4 123.7(2) . . ?
N3 C5 C21 114.97(19) . . ?
C4 C5 C21 121.32(19) . . ?
N1 C6 C2 174.7(3) . . ?
C8 C7 C3 120.2(2) . . ?
C12 C7 C3 121.3(2) . . ?
C12 C7 C8 118.4(2) . . ?
C7 C8 H8 120.3 . . ?
C7 C8 C9 119.4(3) . . ?
C9 C8 H8 120.3 . . ?
C8 C9 H9 119.4 . . ?
C10 C9 C8 121.3(3) . . ?
C10 C9 H9 119.4 . . ?
C9 C10 H10 120.1 . . ?
C9 C10 C11 119.8(3) . . ?
C11 C10 H10 120.1 . . ?
C10 C11 H11 119.9 . . ?
C10 C11 C12 120.1(3) . . ?
C12 C11 H11 119.9 . . ?
C7 C12 C11 121.0(3) . . ?
C7 C12 H12 119.5 . . ?
C11 C12 H12 119.5 . . ?
C4 C13 H13A 109.1 . . ?
C4 C13 H13B 109.1 . . ?
C4 C13 C14 112.54(19) . . ?
H13A C13 H13B 107.8 . . ?
C14 C13 H13A 109.1 . . ?
C14 C13 H13B 109.1 . . ?
O1 C14 C13 120.4(2) . . ?
O1 C14 C15 120.3(2) . . ?
C15 C14 C13 119.3(2) . . ?
C16 C15 C14 123.0(2) . . ?
C20 C15 C14 118.8(2) . . ?
C20 C15 C16 118.2(2) . . ?
C15 C16 H16 119.4 . . ?
C17 C16 C15 121.1(2) . . ?
C17 C16 H16 119.4 . . ?
C16 C17 H17 120.4 . . ?
C18 C17 C16 119.1(2) . . ?
C18 C17 H17 120.4 . . ?
C17 C18 Cl1 119.7(2) . . ?
C17 C18 C19 121.0(2) . . ?
C19 C18 Cl1 119.3(2) . . ?
C18 C19 H19 120.5 . . ?
C20 C19 C18 119.1(3) . . ?
C20 C19 H19 120.5 . . ?
C15 C20 H20 119.3 . . ?
C19 C20 C15 121.5(3) . . ?
C19 C20 H20 119.3 . . ?
C22 C21 C5 120.6(2) . . ?
C26 C21 C5 120.9(2) . . ?
C26 C21 C22 118.5(2) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 C21 120.1(3) . . ?
C23 C22 H22 120.0 . . ?
C22 C23 H23 119.8 . . ?
C24 C23 C22 120.4(3) . . ?
C24 C23 H23 119.8 . . ?
C23 C24 H24 120.1 . . ?
C25 C24 C23 119.8(3) . . ?
C25 C24 H24 120.1 . . ?
C24 C25 H25 119.9 . . ?
C24 C25 C26 120.2(3) . . ?
C26 C25 H25 119.9 . . ?
C21 C26 C25 121.0(3) . . ?
C21 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?

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
Cl1 C18 C19 C20 179.2(2) . . . . ?
O1 C14 C15 C16 -169.4(2) . . . . ?
O1 C14 C15 C20 10.4(3) . . . . ?
N2 C1 C2 C3 -178.7(3) . . . . ?
N2 C1 C2 C6 0.9(4) . . . . ?
N3 C1 C2 C3 0.1(4) . . . . ?
N3 C1 C2 C6 179.7(2) . . . . ?
N3 C5 C21 C22 -113.2(3) . . . . ?
N3 C5 C21 C26 67.7(3) . . . . ?
C1 N3 C5 C4 -2.1(4) . . . . ?
C1 N3 C5 C21 178.4(2) . . . . ?
C1 C2 C3 C4 -1.7(4) . . . . ?
C1 C2 C3 C7 179.4(2) . . . . ?
C1 C2 C6 N1 -6(3) . . . . ?
C2 C3 C4 C5 1.4(3) . . . . ?
C2 C3 C4 C13 -179.9(2) . . . . ?
C2 C3 C7 C8 70.3(3) . . . . ?
C2 C3 C7 C12 -112.9(3) . . . . ?
C3 C2 C6 N1 174(3) . . . . ?
C3 C4 C5 N3 0.5(4) . . . . ?
C3 C4 C5 C21 180.0(2) . . . . ?
C3 C4 C13 C14 -88.7(3) . . . . ?
C3 C7 C8 C9 175.6(3) . . . . ?
C3 C7 C12 C11 -175.3(2) . . . . ?
C4 C3 C7 C8 -108.6(3) . . . . ?
C4 C3 C7 C12 68.2(3) . . . . ?
C4 C5 C21 C22 67.2(3) . . . . ?
C4 C5 C21 C26 -111.9(3) . . . . ?
C4 C13 C14 O1 -23.7(3) . . . . ?
C4 C13 C14 C15 156.0(2) . . . . ?
C5 N3 C1 N2 -179.4(3) . . . . ?
C5 N3 C1 C2 1.7(4) . . . . ?
C5 C4 C13 C14 89.9(3) . . . . ?
C5 C21 C22 C23 -178.9(2) . . . . ?
C5 C21 C26 C25 177.7(3) . . . . ?
C6 C2 C3 C4 178.8(2) . . . . ?
C6 C2 C3 C7 -0.1(4) . . . . ?
C7 C3 C4 C5 -179.7(2) . . . . ?
C7 C3 C4 C13 -1.1(3) . . . . ?
C7 C8 C9 C10 0.1(5) . . . . ?
C8 C7 C12 C11 1.5(4) . . . . ?
C8 C9 C10 C11 0.9(5) . . . . ?
C9 C10 C11 C12 -0.7(5) . . . . ?
C10 C11 C12 C7 -0.5(4) . . . . ?
C12 C7 C8 C9 -1.3(4) . . . . ?
C13 C4 C5 N3 -178.1(2) . . . . ?
C13 C4 C5 C21 1.4(4) . . . . ?
C13 C14 C15 C16 10.9(3) . . . . ?
C13 C14 C15 C20 -169.2(2) . . . . ?
C14 C15 C16 C17 180.0(2) . . . . ?
C14 C15 C20 C19 179.8(2) . . . . ?
C15 C16 C17 C18 0.4(4) . . . . ?
C16 C15 C20 C19 -0.4(4) . . . . ?
C16 C17 C18 Cl1 -179.4(2) . . . . ?
C16 C17 C18 C19 -0.7(4) . . . . ?
C17 C18 C19 C20 0.5(4) . . . . ?
C18 C19 C20 C15 0.0(4) . . . . ?
C20 C15 C16 C17 0.1(4) . . . . ?
C21 C22 C23 C24 0.8(4) . . . . ?
C22 C21 C26 C25 -1.4(4) . . . . ?
C22 C23 C24 C25 -0.5(4) . . . . ?
C23 C24 C25 C26 -0.8(5) . . . . ?
C24 C25 C26 C21 1.8(5) . . . . ?
C26 C21 C22 C23 0.2(4) . . . . ?

