# Electronic Supplementary Material (ESI) for RSC Advances
# This journal is © The Royal Society of Chemistry 2012


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#  This CIF contains data from an original supplementary publication 
#  deposited with the CCDC, and may include chemical, crystal,   
#  experimental, refinement, atomic coordinates, 
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted. 
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data_ah-9
_database_code_depnum_ccdc_archive 'CCDC 877858'
#TrackingRef 'ah-9.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C23 H17 Cl N2 O3'
_chemical_formula_sum            'C23 H17 Cl N2 O3'
_chemical_formula_weight         404.84

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'
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'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   Pbca
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y-1/2, z-1/2'

_cell_length_a                   9.2896(16)
_cell_length_b                   19.504(4)
_cell_length_c                   20.846(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3777.0(13)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1680
_exptl_absorpt_coefficient_mu    0.231
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9553
_exptl_absorpt_correction_T_max  0.9684
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            12277
_diffrn_reflns_av_R_equivalents  0.0292
_diffrn_reflns_av_sigmaI/netI    0.0383
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.94
_diffrn_reflns_theta_max         26.00
_reflns_number_total             3702
_reflns_number_gt                2817
_reflns_threshold_expression     >2\s(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2\s(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0472P)^2^+2.2357P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3702
_refine_ls_number_parameters     262
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0785
_refine_ls_R_factor_gt           0.0552
_refine_ls_wR_factor_ref         0.1260
_refine_ls_wR_factor_gt          0.1161
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.000
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl1 Cl 0.87520(9) 0.13945(4) 0.74532(4) 0.0692(3) Uani 1 1 d . . .
O1 O 1.10502(16) 0.49776(9) 0.64349(8) 0.0399(4) Uani 1 1 d . . .
O3 O 0.89866(18) 0.34606(9) 0.49369(9) 0.0463(5) Uani 1 1 d . . .
C16 C 1.3957(2) 0.37029(12) 0.61871(11) 0.0301(5) Uani 1 1 d . . .
C14 C 1.2362(2) 0.46201(12) 0.64554(11) 0.0331(5) Uani 1 1 d . . .
N1 N 0.89642(19) 0.52210(10) 0.59326(10) 0.0375(5) Uani 1 1 d . . .
C15 C 1.2557(2) 0.40056(11) 0.61614(11) 0.0294(5) Uani 1 1 d . . .
C7 C 1.1312(2) 0.36447(11) 0.58339(11) 0.0296(5) Uani 1 1 d . . .
H7 H 1.1653 0.3457 0.5425 0.035 Uiso 1 1 calc R . .
C21 C 1.5072(2) 0.40436(13) 0.65215(11) 0.0339(6) Uani 1 1 d . . .
C8 C 1.0139(2) 0.41574(12) 0.56979(11) 0.0304(5) Uani 1 1 d . . .
C13 C 1.0063(2) 0.47549(12) 0.60087(11) 0.0319(5) Uani 1 1 d . . .
C17 C 1.4273(2) 0.30687(12) 0.58892(11) 0.0343(5) Uani 1 1 d . . .
H17 H 1.3550 0.2834 0.5673 0.041 Uiso 1 1 calc R . .
C6 C 1.0736(2) 0.30569(12) 0.62443(11) 0.0287(5) Uani 1 1 d . . .
N2 N 0.7900(2) 0.44673(10) 0.51997(10) 0.0369(5) Uani 1 1 d . . .
C9 C 0.9017(2) 0.39852(13) 0.52530(11) 0.0328(5) Uani 1 1 d . . .
O2 O 0.6830(2) 0.54756(10) 0.54670(10) 0.0604(6) Uani 1 1 d . . .
C18 C 1.5626(3) 0.27983(13) 0.59159(12) 0.0402(6) Uani 1 1 d . . .
H18 H 1.5818 0.2383 0.5714 0.048 Uiso 1 1 calc R . .
C23 C 1.3445(3) 0.49606(13) 0.67954(12) 0.0419(6) Uani 1 1 d . . .
H23 H 1.3258 0.5377 0.6996 0.050 Uiso 1 1 calc R . .
C22 C 1.4770(3) 0.46748(13) 0.68271(12) 0.0421(6) Uani 1 1 d . . .
H22 H 1.5495 0.4897 0.7054 0.051 Uiso 1 1 calc R . .
C11 C 0.7829(2) 0.50749(13) 0.55257(12) 0.0381(6) Uani 1 1 d . . .
C3 C 0.9548(3) 0.20298(13) 0.69842(12) 0.0398(6) Uani 1 1 d . . .
C20 C 1.6456(2) 0.37437(14) 0.65382(12) 0.0419(6) Uani 1 1 d . . .
H20 H 1.7196 0.3966 0.6755 0.050 Uiso 1 1 calc R . .
C1 C 1.0462(3) 0.24151(12) 0.59912(12) 0.0381(6) Uani 1 1 d . . .
H1 H 1.0687 0.2329 0.5564 0.046 Uiso 1 1 calc R . .
C2 C 0.9862(3) 0.18977(13) 0.63588(13) 0.0438(6) Uani 1 1 d . . .
H2 H 0.9676 0.1469 0.6182 0.053 Uiso 1 1 calc R . .
C19 C 1.6726(3) 0.31372(14) 0.62432(13) 0.0449(7) Uani 1 1 d . . .
H19 H 1.7643 0.2947 0.6259 0.054 Uiso 1 1 calc R . .
C4 C 0.9819(3) 0.26580(14) 0.72567(12) 0.0485(7) Uani 1 1 d . . .
H4 H 0.9607 0.2738 0.7686 0.058 Uiso 1 1 calc R . .
C10 C 0.6669(3) 0.42829(15) 0.47935(13) 0.0502(7) Uani 1 1 d . . .
H10A H 0.6846 0.3848 0.4594 0.075 Uiso 1 1 calc R . .
H10B H 0.6540 0.4627 0.4469 0.075 Uiso 1 1 calc R . .
H10C H 0.5816 0.4254 0.5052 0.075 Uiso 1 1 calc R . .
C12 C 0.8966(3) 0.58773(14) 0.62727(15) 0.0557(8) Uani 1 1 d . . .
H12A H 0.8115 0.6130 0.6163 0.084 Uiso 1 1 calc R . .
H12B H 0.9802 0.6136 0.6152 0.084 Uiso 1 1 calc R . .
H12C H 0.8983 0.5796 0.6727 0.084 Uiso 1 1 calc R . .
C5 C 1.0409(3) 0.31666(13) 0.68837(12) 0.0425(6) Uani 1 1 d . . .
H5 H 1.0592 0.3594 0.7065 0.051 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Cl1 0.0868(6) 0.0591(5) 0.0617(5) 0.0254(4) -0.0096(4) -0.0301(4)
O1 0.0348(9) 0.0382(9) 0.0467(10) -0.0112(8) -0.0045(7) 0.0075(8)
O3 0.0468(10) 0.0470(11) 0.0451(10) -0.0111(9) -0.0111(8) 0.0025(9)
C16 0.0278(11) 0.0317(12) 0.0308(12) 0.0058(10) 0.0030(9) -0.0008(10)
C14 0.0301(11) 0.0324(12) 0.0367(13) -0.0003(11) -0.0005(10) 0.0017(11)
N1 0.0334(10) 0.0347(11) 0.0445(12) -0.0026(10) -0.0012(9) 0.0062(9)
C15 0.0285(11) 0.0296(12) 0.0302(12) 0.0034(10) 0.0022(9) -0.0018(10)
C7 0.0277(11) 0.0320(12) 0.0289(12) -0.0013(10) 0.0014(9) 0.0016(10)
C21 0.0293(12) 0.0388(14) 0.0338(13) 0.0074(11) 0.0005(10) -0.0033(11)
C8 0.0288(11) 0.0307(12) 0.0316(12) 0.0018(10) 0.0014(10) 0.0001(10)
C13 0.0257(11) 0.0367(13) 0.0333(12) 0.0016(11) 0.0004(10) -0.0002(10)
C17 0.0296(11) 0.0359(13) 0.0373(13) 0.0028(11) 0.0019(10) 0.0011(11)
C6 0.0228(10) 0.0304(12) 0.0329(12) -0.0003(11) -0.0048(9) 0.0017(10)
N2 0.0324(10) 0.0393(12) 0.0390(11) 0.0053(10) -0.0067(9) 0.0001(9)
C9 0.0299(12) 0.0372(13) 0.0311(12) 0.0070(11) 0.0009(10) -0.0019(11)
O2 0.0452(10) 0.0584(13) 0.0776(14) 0.0008(11) -0.0145(10) 0.0192(10)
C18 0.0388(13) 0.0373(13) 0.0445(15) 0.0043(12) 0.0050(12) 0.0076(12)
C23 0.0449(14) 0.0353(13) 0.0455(15) -0.0081(12) -0.0034(12) 0.0005(12)
C22 0.0375(13) 0.0441(15) 0.0447(15) -0.0029(13) -0.0094(12) -0.0089(12)
C11 0.0310(13) 0.0424(14) 0.0410(14) 0.0091(13) 0.0009(11) 0.0026(12)
C3 0.0392(13) 0.0375(14) 0.0427(15) 0.0125(12) -0.0080(11) -0.0083(12)
C20 0.0291(12) 0.0541(16) 0.0426(14) 0.0097(13) -0.0038(11) -0.0059(12)
C1 0.0426(13) 0.0321(13) 0.0394(14) -0.0057(12) 0.0069(11) 0.0015(12)
C2 0.0466(15) 0.0303(13) 0.0546(17) -0.0034(13) 0.0014(13) 0.0005(12)
C19 0.0283(12) 0.0559(18) 0.0504(16) 0.0117(14) 0.0042(12) 0.0099(13)
C4 0.0619(17) 0.0538(17) 0.0299(13) 0.0028(13) -0.0064(12) -0.0169(15)
C10 0.0388(14) 0.0555(17) 0.0562(17) 0.0111(15) -0.0189(13) -0.0030(13)
C12 0.0542(16) 0.0475(16) 0.0655(19) -0.0161(15) -0.0023(15) 0.0146(14)
C5 0.0541(15) 0.0398(14) 0.0337(13) -0.0039(12) -0.0060(12) -0.0129(13)

_geom_special_details            
;
All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell s.u.'s are taken
into account individually in the estimation of s.u.'s in distances, angles
and torsion angles; correlations between s.u.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell s.u.'s is used for estimating s.u.'s 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 C3 1.743(2) . ?
O1 C13 1.348(3) . ?
O1 C14 1.404(3) . ?
O3 C9 1.217(3) . ?
C16 C21 1.414(3) . ?
C16 C17 1.415(3) . ?
C16 C15 1.430(3) . ?
C14 C15 1.358(3) . ?
C14 C23 1.399(3) . ?
N1 C13 1.376(3) . ?
N1 C11 1.383(3) . ?
N1 C12 1.463(3) . ?
C15 C7 1.516(3) . ?
C7 C8 1.506(3) . ?
C7 C6 1.527(3) . ?
C7 H7 0.9800 . ?
C21 C20 1.413(3) . ?
C21 C22 1.414(3) . ?
C8 C13 1.335(3) . ?
C8 C9 1.435(3) . ?
C17 C18 1.364(3) . ?
C17 H17 0.9300 . ?
C6 C1 1.382(3) . ?
C6 C5 1.384(3) . ?
N2 C11 1.368(3) . ?
N2 C9 1.404(3) . ?
N2 C10 1.467(3) . ?
O2 C11 1.220(3) . ?
C18 C19 1.395(4) . ?
C18 H18 0.9300 . ?
C23 C22 1.353(3) . ?
C23 H23 0.9300 . ?
C22 H22 0.9300 . ?
C3 C2 1.360(4) . ?
C3 C4 1.374(4) . ?
C20 C19 1.357(4) . ?
C20 H20 0.9300 . ?
C1 C2 1.385(3) . ?
C1 H1 0.9300 . ?
C2 H2 0.9300 . ?
C19 H19 0.9300 . ?
C4 C5 1.374(3) . ?
C4 H4 0.9300 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C5 H5 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
C13 O1 C14 116.73(18) . . ?
C21 C16 C17 118.4(2) . . ?
C21 C16 C15 119.4(2) . . ?
C17 C16 C15 122.2(2) . . ?
C15 C14 C23 123.5(2) . . ?
C15 C14 O1 122.7(2) . . ?
C23 C14 O1 113.8(2) . . ?
C13 N1 C11 120.0(2) . . ?
C13 N1 C12 121.4(2) . . ?
C11 N1 C12 118.6(2) . . ?
C14 C15 C16 118.0(2) . . ?
C14 C15 C7 120.7(2) . . ?
C16 C15 C7 121.3(2) . . ?
C8 C7 C15 109.17(19) . . ?
C8 C7 C6 110.52(17) . . ?
C15 C7 C6 111.31(18) . . ?
C8 C7 H7 108.6 . . ?
C15 C7 H7 108.6 . . ?
C6 C7 H7 108.6 . . ?
C20 C21 C22 122.0(2) . . ?
C20 C21 C16 119.0(2) . . ?
C22 C21 C16 119.1(2) . . ?
C13 C8 C9 118.6(2) . . ?
C13 C8 C7 121.8(2) . . ?
C9 C8 C7 119.5(2) . . ?
C8 C13 O1 124.4(2) . . ?
C8 C13 N1 124.0(2) . . ?
O1 C13 N1 111.6(2) . . ?
C18 C17 C16 120.7(2) . . ?
C18 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
C1 C6 C5 117.9(2) . . ?
C1 C6 C7 122.0(2) . . ?
C5 C6 C7 120.0(2) . . ?
C11 N2 C9 125.2(2) . . ?
C11 N2 C10 117.5(2) . . ?
C9 N2 C10 117.2(2) . . ?
O3 C9 N2 120.2(2) . . ?
O3 C9 C8 124.3(2) . . ?
N2 C9 C8 115.5(2) . . ?
C17 C18 C19 120.8(2) . . ?
C17 C18 H18 119.6 . . ?
C19 C18 H18 119.6 . . ?
C22 C23 C14 118.9(2) . . ?
C22 C23 H23 120.5 . . ?
C14 C23 H23 120.5 . . ?
C23 C22 C21 121.2(2) . . ?
C23 C22 H22 119.4 . . ?
C21 C22 H22 119.4 . . ?
O2 C11 N2 122.8(2) . . ?
O2 C11 N1 120.7(2) . . ?
N2 C11 N1 116.5(2) . . ?
C2 C3 C4 121.7(2) . . ?
C2 C3 Cl1 119.6(2) . . ?
C4 C3 Cl1 118.7(2) . . ?
C19 C20 C21 121.2(2) . . ?
C19 C20 H20 119.4 . . ?
C21 C20 H20 119.4 . . ?
C6 C1 C2 121.5(2) . . ?
C6 C1 H1 119.2 . . ?
C2 C1 H1 119.2 . . ?
C3 C2 C1 118.6(2) . . ?
C3 C2 H2 120.7 . . ?
C1 C2 H2 120.7 . . ?
C20 C19 C18 120.0(2) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C3 C4 C5 118.9(2) . . ?
C3 C4 H4 120.6 . . ?
C5 C4 H4 120.6 . . ?
N2 C10 H10A 109.5 . . ?
N2 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
N2 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N1 C12 H12A 109.5 . . ?
N1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
N1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C4 C5 C6 121.4(2) . . ?
C4 C5 H5 119.3 . . ?
C6 C5 H5 119.3 . . ?

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
C13 O1 C14 C15 -12.5(3) . . . . ?
C13 O1 C14 C23 166.4(2) . . . . ?
C23 C14 C15 C16 -1.8(4) . . . . ?
O1 C14 C15 C16 177.0(2) . . . . ?
C23 C14 C15 C7 176.4(2) . . . . ?
O1 C14 C15 C7 -4.8(3) . . . . ?
C21 C16 C15 C14 0.9(3) . . . . ?
C17 C16 C15 C14 -179.2(2) . . . . ?
C21 C16 C15 C7 -177.3(2) . . . . ?
C17 C16 C15 C7 2.6(3) . . . . ?
C14 C15 C7 C8 19.5(3) . . . . ?
C16 C15 C7 C8 -162.3(2) . . . . ?
C14 C15 C7 C6 -102.8(2) . . . . ?
C16 C15 C7 C6 75.4(3) . . . . ?
C17 C16 C21 C20 0.8(3) . . . . ?
C15 C16 C21 C20 -179.3(2) . . . . ?
C17 C16 C21 C22 -179.4(2) . . . . ?
C15 C16 C21 C22 0.5(3) . . . . ?
C15 C7 C8 C13 -19.7(3) . . . . ?
C6 C7 C8 C13 103.1(2) . . . . ?
C15 C7 C8 C9 164.42(19) . . . . ?
C6 C7 C8 C9 -72.8(3) . . . . ?
C9 C8 C13 O1 -179.6(2) . . . . ?
C7 C8 C13 O1 4.4(4) . . . . ?
C9 C8 C13 N1 0.3(4) . . . . ?
C7 C8 C13 N1 -175.6(2) . . . . ?
C14 O1 C13 C8 12.8(3) . . . . ?
C14 O1 C13 N1 -167.13(19) . . . . ?
C11 N1 C13 C8 1.7(4) . . . . ?
C12 N1 C13 C8 -178.1(2) . . . . ?
C11 N1 C13 O1 -178.38(19) . . . . ?
C12 N1 C13 O1 1.9(3) . . . . ?
C21 C16 C17 C18 -1.0(3) . . . . ?
C15 C16 C17 C18 179.1(2) . . . . ?
C8 C7 C6 C1 105.4(2) . . . . ?
C15 C7 C6 C1 -133.1(2) . . . . ?
C8 C7 C6 C5 -71.6(3) . . . . ?
C15 C7 C6 C5 49.9(3) . . . . ?
C11 N2 C9 O3 -179.4(2) . . . . ?
C10 N2 C9 O3 4.8(3) . . . . ?
C11 N2 C9 C8 1.1(3) . . . . ?
C10 N2 C9 C8 -174.7(2) . . . . ?
C13 C8 C9 O3 178.8(2) . . . . ?
C7 C8 C9 O3 -5.1(3) . . . . ?
C13 C8 C9 N2 -1.6(3) . . . . ?
C7 C8 C9 N2 174.41(19) . . . . ?
C16 C17 C18 C19 0.7(4) . . . . ?
C15 C14 C23 C22 1.3(4) . . . . ?
O1 C14 C23 C22 -177.7(2) . . . . ?
C14 C23 C22 C21 0.3(4) . . . . ?
C20 C21 C22 C23 178.7(2) . . . . ?
C16 C21 C22 C23 -1.1(4) . . . . ?
C9 N2 C11 O2 -179.4(2) . . . . ?
C10 N2 C11 O2 -3.6(4) . . . . ?
C9 N2 C11 N1 0.8(3) . . . . ?
C10 N2 C11 N1 176.6(2) . . . . ?
C13 N1 C11 O2 178.1(2) . . . . ?
C12 N1 C11 O2 -2.2(4) . . . . ?
C13 N1 C11 N2 -2.1(3) . . . . ?
C12 N1 C11 N2 177.6(2) . . . . ?
C22 C21 C20 C19 179.9(2) . . . . ?
C16 C21 C20 C19 -0.3(4) . . . . ?
C5 C6 C1 C2 0.9(4) . . . . ?
C7 C6 C1 C2 -176.2(2) . . . . ?
C4 C3 C2 C1 -0.4(4) . . . . ?
Cl1 C3 C2 C1 178.50(19) . . . . ?
C6 C1 C2 C3 -0.5(4) . . . . ?
C21 C20 C19 C18 0.0(4) . . . . ?
C17 C18 C19 C20 -0.2(4) . . . . ?
C2 C3 C4 C5 0.7(4) . . . . ?
Cl1 C3 C4 C5 -178.2(2) . . . . ?
C3 C4 C5 C6 -0.2(4) . . . . ?
C1 C6 C5 C4 -0.6(4) . . . . ?
C7 C6 C5 C4 176.6(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.278
_refine_diff_density_min         -0.329
_refine_diff_density_rms         0.042