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


#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  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. 
# 
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material 
#  of the CCDC or of third parties, and may not be copied or further 
#  disseminated in any form, whether machine-readable or not,  
#  except for the purpose of generating routine backup copies 
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#  data retrieval see:
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#
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data_100335_0m
_database_code_depnum_ccdc_archive 'CCDC 883144'
#TrackingRef 'web_deposit_cif_file_0_Cheng-AnWu_1337677527.100335_0m.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H30 N4 O2'
_chemical_formula_weight         478.58

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                   8.9685(3)
_cell_length_b                   10.0847(3)
_cell_length_c                   14.7906(5)
_cell_angle_alpha                105.015(2)
_cell_angle_beta                 95.3130(10)
_cell_angle_gamma                90.2970(10)
_cell_volume                     1285.91(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    8404
_cell_measurement_theta_min      2.5736
_cell_measurement_theta_max      26.2944

_exptl_crystal_description       Lump
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    1.236
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             508
_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_absorpt_correction_T_min  0.7012
_exptl_absorpt_correction_T_max  0.7454

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(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  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_detector_area_resol_mean 8.3333
_diffrn_reflns_number            22995
_diffrn_reflns_av_R_equivalents  0.0267
_diffrn_reflns_av_sigmaI/netI    0.0241
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.09
_diffrn_reflns_theta_max         26.42
_reflns_number_total             5260
_reflns_number_gt                4547
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker AXS, 2010)'
_computing_cell_refinement       'SAINT V7.34A (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT V7.34A (Bruker AXS, 2006)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  SHELXTL

_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^ > 2sigma(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^)+(0.0631P)^2^+0.3069P] 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         5260
_refine_ls_number_parameters     331
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0456
_refine_ls_R_factor_gt           0.0369
_refine_ls_wR_factor_ref         0.1152
_refine_ls_wR_factor_gt          0.0997
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_restrained_S_all      1.094
_refine_ls_shift/su_max          0.001
_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
C1 C 0.86382(13) 0.60716(13) 0.17961(9) 0.0181(3) Uani 1 1 d . . .
C2 C 0.86793(13) 0.75046(13) 0.20042(9) 0.0178(3) Uani 1 1 d . . .
H2 H 0.8271 0.7946 0.1546 0.021 Uiso 1 1 calc R . .
C3 C 0.93117(13) 0.82977(13) 0.28759(9) 0.0174(3) Uani 1 1 d . . .
C4 C 0.99604(13) 0.76281(13) 0.35268(9) 0.0189(3) Uani 1 1 d . . .
H4 H 1.0404 0.8154 0.4120 0.023 Uiso 1 1 calc R . .
C5 C 0.99629(14) 0.62047(13) 0.33159(9) 0.0203(3) Uani 1 1 d . . .
H5 H 1.0428 0.5763 0.3758 0.024 Uiso 1 1 calc R . .
C6 C 0.92868(14) 0.54262(13) 0.24589(9) 0.0196(3) Uani 1 1 d . . .
H6 H 0.9265 0.4452 0.2323 0.024 Uiso 1 1 calc R . .
C7 C 0.78650(14) 0.52416(13) 0.08906(9) 0.0187(3) Uani 1 1 d . . .
C8 C 0.68252(14) 0.42058(13) 0.08913(9) 0.0194(3) Uani 1 1 d . . .
H8 H 0.6639 0.4019 0.1469 0.023 Uiso 1 1 calc R . .
C9 C 0.60588(14) 0.34434(13) 0.00544(9) 0.0198(3) Uani 1 1 d . . .
C10 C 0.63507(15) 0.36959(14) -0.07988(9) 0.0228(3) Uani 1 1 d . . .
H10 H 0.5835 0.3177 -0.1372 0.027 Uiso 1 1 calc R . .
C11 C 0.73973(15) 0.47084(14) -0.08016(9) 0.0243(3) Uani 1 1 d . . .
H11 H 0.7612 0.4869 -0.1382 0.029 Uiso 1 1 calc R . .
C12 C 0.81373(15) 0.54936(13) 0.00350(9) 0.0219(3) Uani 1 1 d . . .
H12 H 0.8830 0.6204 0.0024 0.026 Uiso 1 1 calc R . .
C13 C 0.49343(14) 0.23923(13) 0.00590(9) 0.0192(3) Uani 1 1 d . . .
C14 C 0.34010(14) 0.12806(13) 0.06307(9) 0.0211(3) Uani 1 1 d . . .
C15 C 0.25291(14) 0.09825(14) 0.13788(10) 0.0241(3) Uani 1 1 d . . .
C16 C 0.14081(17) 0.21284(15) 0.16467(11) 0.0305(3) Uani 1 1 d . . .
H16A H 0.1954 0.3008 0.1914 0.046 Uiso 1 1 calc R . .
H16B H 0.0791 0.1932 0.2113 0.046 Uiso 1 1 calc R . .
H16C H 0.0763 0.2178 0.1085 0.046 Uiso 1 1 calc R . .
C17 C 0.16790(17) -0.03917(15) 0.09855(12) 0.0344(4) Uani 1 1 d . . .
H17A H 0.1043 -0.0368 0.0415 0.052 Uiso 1 1 calc R . .
H17B H 0.1053 -0.0561 0.1455 0.052 Uiso 1 1 calc R . .
H17C H 0.2395 -0.1129 0.0834 0.052 Uiso 1 1 calc R . .
C18 C 0.35992(17) 0.09470(18) 0.22433(11) 0.0353(4) Uani 1 1 d . . .
H18A H 0.4353 0.0254 0.2058 0.053 Uiso 1 1 calc R . .
H18B H 0.3031 0.0714 0.2719 0.053 Uiso 1 1 calc R . .
H18C H 0.4097 0.1850 0.2505 0.053 Uiso 1 1 calc R . .
C19 C 0.92476(13) 0.98222(13) 0.31299(8) 0.0173(3) Uani 1 1 d . . .
C20 C 1.03919(13) 1.06231(13) 0.37274(8) 0.0180(3) Uani 1 1 d . . .
H20 H 1.1233 1.0192 0.3954 0.022 Uiso 1 1 calc R . .
C21 C 1.03170(13) 1.20529(13) 0.39974(8) 0.0179(3) Uani 1 1 d . . .
C22 C 0.90718(14) 1.26944(13) 0.36855(9) 0.0197(3) Uani 1 1 d . . .
H22 H 0.8997 1.3664 0.3888 0.024 Uiso 1 1 calc R . .
C23 C 0.79436(14) 1.19025(13) 0.30765(9) 0.0211(3) Uani 1 1 d . . .
H23 H 0.7103 1.2336 0.2851 0.025 Uiso 1 1 calc R . .
C24 C 0.80295(14) 1.04814(13) 0.27920(9) 0.0199(3) Uani 1 1 d . . .
H24 H 0.7257 0.9953 0.2366 0.024 Uiso 1 1 calc R . .
C25 C 1.15526(13) 1.28877(13) 0.45924(8) 0.0178(3) Uani 1 1 d . . .
C26 C 1.36021(14) 1.33106(13) 0.54857(9) 0.0190(3) Uani 1 1 d . . .
C27 C 1.50361(14) 1.29804(14) 0.59722(9) 0.0221(3) Uani 1 1 d . . .
C28 C 1.60606(15) 1.23390(16) 0.52089(10) 0.0305(3) Uani 1 1 d . . .
H28A H 1.5563 1.1516 0.4781 0.046 Uiso 1 1 calc R . .
H28B H 1.7003 1.2088 0.5504 0.046 Uiso 1 1 calc R . .
H28C H 1.6270 1.3004 0.4854 0.046 Uiso 1 1 calc R . .
C29 C 1.57623(16) 1.43072(15) 0.66151(10) 0.0287(3) Uani 1 1 d . . .
H29A H 1.5934 1.4957 0.6242 0.043 Uiso 1 1 calc R . .
H29B H 1.6721 1.4104 0.6918 0.043 Uiso 1 1 calc R . .
H29C H 1.5097 1.4711 0.7097 0.043 Uiso 1 1 calc R . .
C30 C 1.47086(16) 1.19605(16) 0.65459(11) 0.0308(3) Uani 1 1 d . . .
H30A H 1.4055 1.2383 0.7030 0.046 Uiso 1 1 calc R . .
H30B H 1.5651 1.1718 0.6846 0.046 Uiso 1 1 calc R . .
H30C H 1.4211 1.1130 0.6128 0.046 Uiso 1 1 calc R . .
N1 N 0.42896(12) 0.14687(11) -0.06427(8) 0.0226(2) Uani 1 1 d . . .
N2 N 0.32724(12) 0.07332(12) -0.02628(8) 0.0238(3) Uani 1 1 d . . .
N3 N 1.17428(12) 1.42027(11) 0.48359(8) 0.0220(2) Uani 1 1 d . . .
N4 N 1.30950(12) 1.44801(11) 0.54334(8) 0.0228(2) Uani 1 1 d . . .
O1 O 0.44451(10) 0.23401(9) 0.08961(6) 0.0211(2) Uani 1 1 d . . .
O2 O 1.26886(9) 1.22355(9) 0.49673(6) 0.0189(2) Uani 1 1 d . . .

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
C1 0.0172(6) 0.0192(6) 0.0183(6) 0.0049(5) 0.0031(5) 0.0004(5)
C2 0.0156(6) 0.0197(6) 0.0195(6) 0.0081(5) 0.0003(5) 0.0011(5)
C3 0.0140(5) 0.0186(6) 0.0198(6) 0.0058(5) 0.0016(5) -0.0007(5)
C4 0.0163(6) 0.0215(7) 0.0188(6) 0.0060(5) -0.0007(5) -0.0024(5)
C5 0.0187(6) 0.0228(7) 0.0221(6) 0.0111(5) 0.0004(5) 0.0008(5)
C6 0.0210(6) 0.0165(6) 0.0226(6) 0.0068(5) 0.0034(5) 0.0012(5)
C7 0.0203(6) 0.0158(6) 0.0198(6) 0.0040(5) 0.0015(5) 0.0042(5)
C8 0.0217(6) 0.0191(6) 0.0180(6) 0.0051(5) 0.0036(5) 0.0027(5)
C9 0.0201(6) 0.0173(6) 0.0218(6) 0.0046(5) 0.0024(5) 0.0034(5)
C10 0.0275(7) 0.0219(7) 0.0177(6) 0.0038(5) -0.0001(5) 0.0016(5)
C11 0.0319(7) 0.0237(7) 0.0187(6) 0.0074(5) 0.0034(5) 0.0012(6)
C12 0.0240(6) 0.0198(7) 0.0232(7) 0.0079(5) 0.0025(5) 0.0008(5)
C13 0.0201(6) 0.0200(6) 0.0179(6) 0.0056(5) 0.0019(5) 0.0040(5)
C14 0.0186(6) 0.0184(6) 0.0261(7) 0.0065(5) -0.0003(5) 0.0016(5)
C15 0.0220(6) 0.0246(7) 0.0282(7) 0.0101(6) 0.0053(5) 0.0023(5)
C16 0.0329(8) 0.0276(8) 0.0353(8) 0.0123(6) 0.0134(6) 0.0077(6)
C17 0.0333(8) 0.0254(8) 0.0460(9) 0.0091(7) 0.0126(7) -0.0011(6)
C18 0.0285(7) 0.0527(10) 0.0324(8) 0.0232(7) 0.0067(6) 0.0031(7)
C19 0.0183(6) 0.0184(6) 0.0160(6) 0.0054(5) 0.0027(5) -0.0001(5)
C20 0.0176(6) 0.0197(6) 0.0178(6) 0.0070(5) 0.0010(5) 0.0013(5)
C21 0.0197(6) 0.0190(6) 0.0156(6) 0.0052(5) 0.0031(5) -0.0007(5)
C22 0.0228(6) 0.0171(6) 0.0200(6) 0.0053(5) 0.0044(5) 0.0022(5)
C23 0.0188(6) 0.0221(7) 0.0235(6) 0.0084(5) 0.0011(5) 0.0035(5)
C24 0.0176(6) 0.0217(7) 0.0200(6) 0.0056(5) -0.0008(5) -0.0013(5)
C25 0.0186(6) 0.0187(6) 0.0168(6) 0.0054(5) 0.0030(5) 0.0021(5)
C26 0.0198(6) 0.0192(6) 0.0170(6) 0.0026(5) 0.0026(5) -0.0031(5)
C27 0.0193(6) 0.0251(7) 0.0212(6) 0.0054(5) -0.0002(5) -0.0010(5)
C28 0.0219(7) 0.0365(8) 0.0293(7) 0.0021(6) 0.0015(6) 0.0034(6)
C29 0.0252(7) 0.0328(8) 0.0241(7) 0.0023(6) -0.0033(6) -0.0058(6)
C30 0.0291(7) 0.0345(8) 0.0310(8) 0.0151(6) -0.0046(6) -0.0021(6)
N1 0.0230(5) 0.0225(6) 0.0214(6) 0.0051(5) -0.0001(4) -0.0020(4)
N2 0.0226(6) 0.0240(6) 0.0244(6) 0.0063(5) -0.0001(4) -0.0017(4)
N3 0.0203(5) 0.0197(6) 0.0250(6) 0.0052(5) -0.0016(4) -0.0021(4)
N4 0.0206(5) 0.0208(6) 0.0251(6) 0.0035(5) -0.0007(4) -0.0021(4)
O1 0.0230(5) 0.0206(5) 0.0192(4) 0.0042(4) 0.0024(4) -0.0016(4)
O2 0.0190(4) 0.0167(4) 0.0198(4) 0.0039(3) -0.0021(3) -0.0013(3)

_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
C1 C2 1.3969(17) . ?
C1 C6 1.3972(17) . ?
C1 C7 1.4887(17) . ?
C2 C3 1.3961(17) . ?
C2 H2 0.9500 . ?
C3 C4 1.3995(17) . ?
C3 C19 1.4879(17) . ?
C4 C5 1.3878(18) . ?
C4 H4 0.9500 . ?
C5 C6 1.3884(18) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.3960(17) . ?
C7 C8 1.3969(17) . ?
C8 C9 1.3927(18) . ?
C8 H8 0.9500 . ?
C9 C10 1.3975(18) . ?
C9 C13 1.4611(17) . ?
C10 C11 1.3845(19) . ?
C10 H10 0.9500 . ?
C11 C12 1.3905(18) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 N1 1.2889(17) . ?
C13 O1 1.3646(15) . ?
C14 N2 1.2875(17) . ?
C14 O1 1.3700(15) . ?
C14 C15 1.5021(18) . ?
C15 C17 1.5263(19) . ?
C15 C16 1.5335(19) . ?
C15 C18 1.5342(19) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.3930(17) . ?
C19 C24 1.4013(17) . ?
C20 C21 1.3967(18) . ?
C20 H20 0.9500 . ?
C21 C22 1.3947(17) . ?
C21 C25 1.4619(17) . ?
C22 C23 1.3867(18) . ?
C22 H22 0.9500 . ?
C23 C24 1.3898(18) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 N3 1.2870(16) . ?
C25 O2 1.3672(15) . ?
C26 N4 1.2846(17) . ?
C26 O2 1.3705(15) . ?
C26 C27 1.4966(17) . ?
C27 C29 1.5283(19) . ?
C27 C28 1.5353(19) . ?
C27 C30 1.5361(18) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
N1 N2 1.4150(15) . ?
N3 N4 1.4141(15) . ?

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 C6 119.35(11) . . ?
C2 C1 C7 120.31(11) . . ?
C6 C1 C7 120.30(11) . . ?
C3 C2 C1 120.92(11) . . ?
C3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
C2 C3 C4 118.65(11) . . ?
C2 C3 C19 121.10(11) . . ?
C4 C3 C19 120.21(11) . . ?
C5 C4 C3 120.81(12) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
C4 C5 C6 120.03(11) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 C1 120.18(12) . . ?
C5 C6 H6 119.9 . . ?
C1 C6 H6 119.9 . . ?
C12 C7 C8 118.94(11) . . ?
C12 C7 C1 121.23(11) . . ?
C8 C7 C1 119.82(11) . . ?
C9 C8 C7 120.72(11) . . ?
C9 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
C8 C9 C10 119.84(12) . . ?
C8 C9 C13 120.68(11) . . ?
C10 C9 C13 119.47(11) . . ?
C11 C10 C9 119.48(12) . . ?
C11 C10 H10 120.3 . . ?
C9 C10 H10 120.3 . . ?
C10 C11 C12 120.78(12) . . ?
C10 C11 H11 119.6 . . ?
C12 C11 H11 119.6 . . ?
C11 C12 C7 120.21(12) . . ?
C11 C12 H12 119.9 . . ?
C7 C12 H12 119.9 . . ?
N1 C13 O1 112.60(11) . . ?
N1 C13 C9 128.62(12) . . ?
O1 C13 C9 118.78(11) . . ?
N2 C14 O1 112.41(11) . . ?
N2 C14 C15 129.77(12) . . ?
O1 C14 C15 117.70(11) . . ?
C14 C15 C17 109.10(11) . . ?
C14 C15 C16 107.99(11) . . ?
C17 C15 C16 109.41(11) . . ?
C14 C15 C18 109.80(11) . . ?
C17 C15 C18 110.59(12) . . ?
C16 C15 C18 109.90(12) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C24 118.64(11) . . ?
C20 C19 C3 120.29(11) . . ?
C24 C19 C3 121.06(11) . . ?
C19 C20 C21 120.76(11) . . ?
C19 C20 H20 119.6 . . ?
C21 C20 H20 119.6 . . ?
C22 C21 C20 120.07(11) . . ?
C22 C21 C25 119.57(11) . . ?
C20 C21 C25 120.34(11) . . ?
C23 C22 C21 119.31(12) . . ?
C23 C22 H22 120.3 . . ?
C21 C22 H22 120.3 . . ?
C22 C23 C24 120.70(12) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
C23 C24 C19 120.45(11) . . ?
C23 C24 H24 119.8 . . ?
C19 C24 H24 119.8 . . ?
N3 C25 O2 112.63(10) . . ?
N3 C25 C21 128.93(11) . . ?
O2 C25 C21 118.44(10) . . ?
N4 C26 O2 112.37(11) . . ?
N4 C26 C27 129.73(12) . . ?
O2 C26 C27 117.80(11) . . ?
C26 C27 C29 109.00(11) . . ?
C26 C27 C28 107.40(10) . . ?
C29 C27 C28 110.12(11) . . ?
C26 C27 C30 109.44(11) . . ?
C29 C27 C30 110.47(11) . . ?
C28 C27 C30 110.35(12) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C13 N1 N2 106.14(10) . . ?
C14 N2 N1 106.26(10) . . ?
C25 N3 N4 106.05(10) . . ?
C26 N4 N3 106.48(10) . . ?
C13 O1 C14 102.58(10) . . ?
C25 O2 C26 102.46(9) . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        26.42
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         0.334
_refine_diff_density_min         -0.246
_refine_diff_density_rms         0.083