# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_shx97
_database_code_depnum_ccdc_archive 'CCDC 1058763'
_audit_update_record             
;
2015-04-09 deposited with the CCDC.
2015-05-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H24 N2 O3'
_chemical_formula_sum            'C30 H24 N2 O3'
_chemical_formula_weight         460.51

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'
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           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.8035(18)
_cell_length_b                   10.760(2)
_cell_length_c                   13.898(3)
_cell_angle_alpha                94.58(3)
_cell_angle_beta                 100.59(3)
_cell_angle_gamma                110.38(3)
_cell_volume                     1198.1(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    7642
_cell_measurement_theta_min      3.0
_cell_measurement_theta_max      27.5

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.44
_exptl_crystal_size_min          0.39
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.277
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             484
_exptl_absorpt_coefficient_mu    0.083
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.742
_exptl_absorpt_correction_T_max  0.825
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      295(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  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean .
_diffrn_standards_number         image
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_decay_%        0
_diffrn_reflns_number            9731
_diffrn_reflns_av_R_equivalents  0.0388
_diffrn_reflns_av_sigmaI/netI    0.0548
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         3.02
_diffrn_reflns_theta_max         25.35
_reflns_number_total             4338
_reflns_number_gt                3024
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_cell_refinement       RAPID-AUTO
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    SHELXL-97
_computing_publication_material  SHELXL-97

_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. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0392P)²+0.2711P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.020(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         4338
_refine_ls_number_parameters     317
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0647
_refine_ls_R_factor_gt           0.0374
_refine_ls_wR_factor_ref         0.1233
_refine_ls_wR_factor_gt          0.0882
_refine_ls_goodness_of_fit_ref   1.158
_refine_ls_restrained_S_all      1.158
_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
O1 O 0.19039(18) 0.54220(13) 0.10634(11) 0.0597(4) Uani 1 1 d . . .
O2 O 1.15966(19) -0.04828(18) 0.39041(12) 0.0748(5) Uani 1 1 d . . .
O3 O 0.77548(16) 0.28959(13) 0.20465(10) 0.0550(4) Uani 1 1 d . . .
N1 N 0.60147(18) 0.26266(15) 0.31029(11) 0.0450(4) Uani 1 1 d . . .
H1A H 0.5075 0.2096 0.3186 0.054 Uiso 1 1 calc R . .
N2 N 0.4921(2) 0.25590(18) 0.47404(12) 0.0549(4) Uani 1 1 d . . .
C1 C 0.2253(2) 0.42780(18) 0.10912(13) 0.0442(4) Uani 1 1 d . . .
C2 C 0.1218(2) 0.30894(18) 0.13042(14) 0.0465(4) Uani 1 1 d . . .
H2A H 0.0193 0.3015 0.1434 0.056 Uiso 1 1 calc R . .
C3 C 0.1726(2) 0.20063(18) 0.13228(14) 0.0460(4) Uani 1 1 d . . .
H3A H 0.1021 0.1204 0.1462 0.055 Uiso 1 1 calc R . .
C4 C 0.3253(2) 0.20795(17) 0.11407(13) 0.0405(4) Uani 1 1 d . . .
C5 C 0.4269(2) 0.32902(19) 0.09265(14) 0.0474(5) Uani 1 1 d . . .
H5A H 0.5296 0.3370 0.0797 0.057 Uiso 1 1 calc R . .
C6 C 0.3779(2) 0.43728(19) 0.09026(14) 0.0497(5) Uani 1 1 d . . .
H6A H 0.4478 0.5174 0.0759 0.060 Uiso 1 1 calc R . .
C7 C 0.3729(2) 0.08786(17) 0.11518(12) 0.0395(4) Uani 1 1 d . . .
C8 C 0.2609(2) -0.03347(19) 0.05906(14) 0.0493(5) Uani 1 1 d . . .
H8A H 0.1590 -0.0377 0.0226 0.059 Uiso 1 1 calc R . .
C9 C 0.2995(3) -0.14748(19) 0.05699(15) 0.0541(5) Uani 1 1 d . . .
H9A H 0.2243 -0.2278 0.0189 0.065 Uiso 1 1 calc R . .
C10 C 0.4498(2) -0.14167(18) 0.11166(14) 0.0502(5) Uani 1 1 d . . .
H10A H 0.4734 -0.2195 0.1110 0.060 Uiso 1 1 calc R . .
C11 C 0.5671(2) -0.02319(18) 0.16777(13) 0.0429(4) Uani 1 1 d . . .
C12 C 0.5263(2) 0.09293(17) 0.16937(13) 0.0396(4) Uani 1 1 d . . .
C13 C 0.7266(2) -0.02557(17) 0.22520(14) 0.0442(4) Uani 1 1 d . . .
C14 C 0.8061(2) -0.10030(19) 0.18310(15) 0.0510(5) Uani 1 1 d . . .
H14A H 0.7612 -0.1445 0.1182 0.061 Uiso 1 1 calc R . .
C15 C 0.9501(3) -0.1103(2) 0.23538(16) 0.0548(5) Uani 1 1 d . . .
H15A H 1.0002 -0.1614 0.2058 0.066 Uiso 1 1 calc R . .
C16 C 1.0192(2) -0.0447(2) 0.33113(16) 0.0525(5) Uani 1 1 d . . .
C17 C 0.9429(3) 0.0313(2) 0.37391(16) 0.0570(5) Uani 1 1 d . . .
H17A H 0.9894 0.0771 0.4383 0.068 Uiso 1 1 calc R . .
C18 C 0.7990(2) 0.03910(19) 0.32165(14) 0.0504(5) Uani 1 1 d . . .
H18A H 0.7486 0.0893 0.3520 0.060 Uiso 1 1 calc R . .
C19 C 0.6847(2) 0.37627(18) 0.38302(14) 0.0453(4) Uani 1 1 d . . .
C20 C 0.8138(3) 0.4885(2) 0.37553(18) 0.0613(6) Uani 1 1 d . . .
H20A H 0.8547 0.4938 0.3183 0.074 Uiso 1 1 calc R . .
C21 C 0.8848(3) 0.5963(2) 0.4549(2) 0.0770(7) Uani 1 1 d . . .
H21A H 0.9732 0.6720 0.4494 0.092 Uiso 1 1 calc R . .
C22 C 0.8274(3) 0.5922(3) 0.53903(19) 0.0749(7) Uani 1 1 d . . .
H22A H 0.8762 0.6647 0.5903 0.090 Uiso 1 1 calc R . .
C23 C 0.6944(3) 0.4790(2) 0.54904(15) 0.0588(6) Uani 1 1 d . . .
C24 C 0.6221(2) 0.3695(2) 0.47127(14) 0.0473(5) Uani 1 1 d . . .
C25 C 0.6247(4) 0.4661(3) 0.63348(17) 0.0776(8) Uani 1 1 d . . .
H25A H 0.6671 0.5355 0.6869 0.093 Uiso 1 1 calc R . .
C26 C 0.4968(4) 0.3529(3) 0.63637(18) 0.0829(8) Uani 1 1 d . . .
H26A H 0.4514 0.3434 0.6920 0.099 Uiso 1 1 calc R . .
C27 C 0.4334(3) 0.2505(3) 0.55508(17) 0.0713(7) Uani 1 1 d . . .
H27A H 0.3444 0.1737 0.5581 0.086 Uiso 1 1 calc R . .
C28 C 0.6480(2) 0.22422(17) 0.22848(13) 0.0401(4) Uani 1 1 d . . .
C29 C 0.0451(3) 0.5427(2) 0.13760(19) 0.0686(6) Uani 1 1 d . . .
H29A H 0.0346 0.6278 0.1322 0.103 Uiso 1 1 calc R . .
H29B H 0.0540 0.5278 0.2053 0.103 Uiso 1 1 calc R . .
H29C H -0.0512 0.4726 0.0964 0.103 Uiso 1 1 calc R . .
C30 C 1.2556(3) -0.1094(3) 0.3484(2) 0.0906(9) Uani 1 1 d . . .
H30A H 1.3504 -0.1034 0.3982 0.136 Uiso 1 1 calc R . .
H30B H 1.2926 -0.0642 0.2953 0.136 Uiso 1 1 calc R . .
H30C H 1.1892 -0.2020 0.3231 0.136 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 C1 1.370(2) . ?
O1 C29 1.426(2) . ?
O2 C16 1.369(2) . ?
O2 C30 1.412(3) . ?
O3 C28 1.220(2) . ?
N1 C28 1.358(2) . ?
N1 C19 1.400(2) . ?
N1 H1A 0.8600 . ?
N2 C27 1.320(3) . ?
N2 C24 1.361(3) . ?
C1 C2 1.379(3) . ?
C1 C6 1.387(3) . ?
C2 C3 1.386(2) . ?
C2 H2A 0.9300 . ?
C3 C4 1.390(2) . ?
C3 H3A 0.9300 . ?
C4 C5 1.391(3) . ?
C4 C7 1.491(2) . ?
C5 C6 1.376(3) . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9300 . ?
C7 C8 1.394(3) . ?
C7 C12 1.401(2) . ?
C8 C9 1.382(3) . ?
C8 H8A 0.9300 . ?
C9 C10 1.377(3) . ?
C9 H9A 0.9300 . ?
C10 C11 1.389(3) . ?
C10 H10A 0.9300 . ?
C11 C12 1.415(2) . ?
C11 C13 1.492(3) . ?
C12 C28 1.502(3) . ?
C13 C18 1.384(3) . ?
C13 C14 1.395(2) . ?
C14 C15 1.384(3) . ?
C14 H14A 0.9300 . ?
C15 C16 1.376(3) . ?
C15 H15A 0.9300 . ?
C16 C17 1.387(3) . ?
C17 C18 1.374(3) . ?
C17 H17A 0.9300 . ?
C18 H18A 0.9300 . ?
C19 C20 1.367(3) . ?
C19 C24 1.431(3) . ?
C20 C21 1.411(3) . ?
C20 H20A 0.9300 . ?
C21 C22 1.354(4) . ?
C21 H21A 0.9300 . ?
C22 C23 1.403(3) . ?
C22 H22A 0.9300 . ?
C23 C24 1.408(3) . ?
C23 C25 1.416(3) . ?
C25 C26 1.350(4) . ?
C25 H25A 0.9300 . ?
C26 C27 1.394(4) . ?
C26 H26A 0.9300 . ?
C27 H27A 0.9300 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 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
C1 O1 C29 117.55(15) . . ?
C16 O2 C30 118.75(19) . . ?
C28 N1 C19 129.22(16) . . ?
C28 N1 H1A 115.4 . . ?
C19 N1 H1A 115.4 . . ?
C27 N2 C24 116.9(2) . . ?
O1 C1 C2 124.67(16) . . ?
O1 C1 C6 115.61(16) . . ?
C2 C1 C6 119.71(16) . . ?
C1 C2 C3 119.12(17) . . ?
C1 C2 H2A 120.4 . . ?
C3 C2 H2A 120.4 . . ?
C2 C3 C4 122.19(17) . . ?
C2 C3 H3A 118.9 . . ?
C4 C3 H3A 118.9 . . ?
C3 C4 C5 117.38(16) . . ?
C3 C4 C7 120.14(16) . . ?
C5 C4 C7 122.46(15) . . ?
C6 C5 C4 121.08(17) . . ?
C6 C5 H5A 119.5 . . ?
C4 C5 H5A 119.5 . . ?
C5 C6 C1 120.52(17) . . ?
C5 C6 H6A 119.7 . . ?
C1 C6 H6A 119.7 . . ?
C8 C7 C12 118.95(16) . . ?
C8 C7 C4 118.53(16) . . ?
C12 C7 C4 122.51(16) . . ?
C9 C8 C7 120.82(18) . . ?
C9 C8 H8A 119.6 . . ?
C7 C8 H8A 119.6 . . ?
C10 C9 C8 119.69(18) . . ?
C10 C9 H9A 120.2 . . ?
C8 C9 H9A 120.2 . . ?
C9 C10 C11 122.01(17) . . ?
C9 C10 H10A 119.0 . . ?
C11 C10 H10A 119.0 . . ?
C10 C11 C12 117.80(17) . . ?
C10 C11 C13 118.66(16) . . ?
C12 C11 C13 123.52(17) . . ?
C7 C12 C11 120.71(17) . . ?
C7 C12 C28 118.90(15) . . ?
C11 C12 C28 120.39(16) . . ?
C18 C13 C14 116.94(18) . . ?
C18 C13 C11 123.21(16) . . ?
C14 C13 C11 119.79(17) . . ?
C15 C14 C13 121.69(19) . . ?
C15 C14 H14A 119.2 . . ?
C13 C14 H14A 119.2 . . ?
C16 C15 C14 120.02(18) . . ?
C16 C15 H15A 120.0 . . ?
C14 C15 H15A 120.0 . . ?
O2 C16 C15 125.33(18) . . ?
O2 C16 C17 115.54(19) . . ?
C15 C16 C17 119.13(18) . . ?
C18 C17 C16 120.3(2) . . ?
C18 C17 H17A 119.9 . . ?
C16 C17 H17A 119.9 . . ?
C17 C18 C13 121.92(18) . . ?
C17 C18 H18A 119.0 . . ?
C13 C18 H18A 119.0 . . ?
C20 C19 N1 126.09(18) . . ?
C20 C19 C24 119.63(19) . . ?
N1 C19 C24 114.27(17) . . ?
C19 C20 C21 119.8(2) . . ?
C19 C20 H20A 120.1 . . ?
C21 C20 H20A 120.1 . . ?
C22 C21 C20 121.6(2) . . ?
C22 C21 H21A 119.2 . . ?
C20 C21 H21A 119.2 . . ?
C21 C22 C23 120.2(2) . . ?
C21 C22 H22A 119.9 . . ?
C23 C22 H22A 119.9 . . ?
C22 C23 C24 119.5(2) . . ?
C22 C23 C25 124.2(2) . . ?
C24 C23 C25 116.3(2) . . ?
N2 C24 C23 123.62(19) . . ?
N2 C24 C19 117.02(17) . . ?
C23 C24 C19 119.4(2) . . ?
C26 C25 C23 120.0(2) . . ?
C26 C25 H25A 120.0 . . ?
C23 C25 H25A 120.0 . . ?
C25 C26 C27 119.3(2) . . ?
C25 C26 H26A 120.4 . . ?
C27 C26 H26A 120.4 . . ?
N2 C27 C26 123.9(3) . . ?
N2 C27 H27A 118.0 . . ?
C26 C27 H27A 118.0 . . ?
O3 C28 N1 123.68(17) . . ?
O3 C28 C12 122.94(15) . . ?
N1 C28 C12 113.38(15) . . ?
O1 C29 H29A 109.5 . . ?
O1 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
O1 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O2 C30 H30A 109.5 . . ?
O2 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
O2 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 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
C29 O1 C1 C2 6.8(3) . . . . ?
C29 O1 C1 C6 -172.15(18) . . . . ?
O1 C1 C2 C3 -179.09(17) . . . . ?
C6 C1 C2 C3 -0.2(3) . . . . ?
C1 C2 C3 C4 0.5(3) . . . . ?
C2 C3 C4 C5 -0.6(3) . . . . ?
C2 C3 C4 C7 -178.92(17) . . . . ?
C3 C4 C5 C6 0.4(3) . . . . ?
C7 C4 C5 C6 178.68(17) . . . . ?
C4 C5 C6 C1 -0.1(3) . . . . ?
O1 C1 C6 C5 179.00(17) . . . . ?
C2 C1 C6 C5 0.0(3) . . . . ?
C3 C4 C7 C8 50.7(2) . . . . ?
C5 C4 C7 C8 -127.5(2) . . . . ?
C3 C4 C7 C12 -130.09(19) . . . . ?
C5 C4 C7 C12 51.7(2) . . . . ?
C12 C7 C8 C9 0.3(3) . . . . ?
C4 C7 C8 C9 179.54(17) . . . . ?
C7 C8 C9 C10 0.5(3) . . . . ?
C8 C9 C10 C11 -1.5(3) . . . . ?
C9 C10 C11 C12 1.5(3) . . . . ?
C9 C10 C11 C13 179.76(17) . . . . ?
C8 C7 C12 C11 -0.3(2) . . . . ?
C4 C7 C12 C11 -179.49(15) . . . . ?
C8 C7 C12 C28 179.01(15) . . . . ?
C4 C7 C12 C28 -0.2(2) . . . . ?
C10 C11 C12 C7 -0.6(2) . . . . ?
C13 C11 C12 C7 -178.75(16) . . . . ?
C10 C11 C12 C28 -179.89(16) . . . . ?
C13 C11 C12 C28 1.9(2) . . . . ?
C10 C11 C13 C18 -136.7(2) . . . . ?
C12 C11 C13 C18 41.5(3) . . . . ?
C10 C11 C13 C14 40.5(2) . . . . ?
C12 C11 C13 C14 -141.30(18) . . . . ?
C18 C13 C14 C15 0.4(3) . . . . ?
C11 C13 C14 C15 -176.99(17) . . . . ?
C13 C14 C15 C16 -0.5(3) . . . . ?
C30 O2 C16 C15 8.4(3) . . . . ?
C30 O2 C16 C17 -172.2(2) . . . . ?
C14 C15 C16 O2 179.20(18) . . . . ?
C14 C15 C16 C17 -0.2(3) . . . . ?
O2 C16 C17 C18 -178.49(18) . . . . ?
C15 C16 C17 C18 0.9(3) . . . . ?
C16 C17 C18 C13 -1.0(3) . . . . ?
C14 C13 C18 C17 0.4(3) . . . . ?
C11 C13 C18 C17 177.68(18) . . . . ?
C28 N1 C19 C20 15.7(3) . . . . ?
C28 N1 C19 C24 -165.14(17) . . . . ?
N1 C19 C20 C21 179.4(2) . . . . ?
C24 C19 C20 C21 0.3(3) . . . . ?
C19 C20 C21 C22 -0.5(4) . . . . ?
C20 C21 C22 C23 0.1(4) . . . . ?
C21 C22 C23 C24 0.4(3) . . . . ?
C21 C22 C23 C25 -179.3(2) . . . . ?
C27 N2 C24 C23 -0.3(3) . . . . ?
C27 N2 C24 C19 -179.26(17) . . . . ?
C22 C23 C24 N2 -179.54(18) . . . . ?
C25 C23 C24 N2 0.2(3) . . . . ?
C22 C23 C24 C19 -0.6(3) . . . . ?
C25 C23 C24 C19 179.14(17) . . . . ?
C20 C19 C24 N2 179.23(17) . . . . ?
N1 C19 C24 N2 0.0(2) . . . . ?
C20 C19 C24 C23 0.2(3) . . . . ?
N1 C19 C24 C23 -178.99(15) . . . . ?
C22 C23 C25 C26 -179.9(2) . . . . ?
C24 C23 C25 C26 0.4(3) . . . . ?
C23 C25 C26 C27 -0.8(4) . . . . ?
C24 N2 C27 C26 -0.2(3) . . . . ?
C25 C26 C27 N2 0.7(4) . . . . ?
C19 N1 C28 O3 -1.8(3) . . . . ?
C19 N1 C28 C12 178.45(16) . . . . ?
C7 C12 C28 O3 -108.1(2) . . . . ?
C11 C12 C28 O3 71.3(2) . . . . ?
C7 C12 C28 N1 71.7(2) . . . . ?
C11 C12 C28 N1 -109.02(18) . . . . ?

_diffrn_measured_fraction_theta_max 0.987
_diffrn_reflns_theta_full        25.35
_diffrn_measured_fraction_theta_full 0.987
_refine_diff_density_max         0.236
_refine_diff_density_min         -0.181
_refine_diff_density_rms         0.046
