# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C
# This journal is © The Royal Society of Chemistry 2013

#######################################################################
#
#                 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
#  on your local computer system.
# 
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_yang2

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H34 N2'
_chemical_formula_weight         566.71

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.6635(13)
_cell_length_b                   21.772(2)
_cell_length_c                   12.6541(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 117.068(2)
_cell_angle_gamma                90.00
_cell_volume                     3106.7(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    1659
_cell_measurement_theta_min      2.60
_cell_measurement_theta_max      22.76

_exptl_crystal_description       bar
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.212
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1200
_exptl_absorpt_coefficient_mu    0.070
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.91
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_process_details   SADABS

_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  ?
_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            17056
_diffrn_reflns_av_R_equivalents  0.0565
_diffrn_reflns_av_sigmaI/netI    0.0733
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         1.81
_diffrn_reflns_theta_max         26.00
_reflns_number_total             6065
_reflns_number_gt                3570
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_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^ > 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^)+(0.0580P)^2^+0.0000P] 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         6065
_refine_ls_number_parameters     399
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1095
_refine_ls_R_factor_gt           0.0537
_refine_ls_wR_factor_ref         0.1313
_refine_ls_wR_factor_gt          0.1110
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_restrained_S_all      1.007
_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
N1 N 0.38806(17) 0.53681(8) 0.57624(16) 0.0313(5) Uani 1 1 d . . .
N2 N 0.02453(16) 0.03489(8) 0.65952(16) 0.0280(4) Uani 1 1 d . . .
C1 C 0.4114(2) 0.55838(10) 0.68761(19) 0.0275(5) Uani 1 1 d . . .
C2 C 0.4610(2) 0.61416(10) 0.7411(2) 0.0304(5) Uani 1 1 d . . .
H2A H 0.4843 0.6439 0.7009 0.036 Uiso 1 1 calc R . .
C3 C 0.4752(2) 0.62475(10) 0.8546(2) 0.0324(6) Uani 1 1 d . . .
H3A H 0.5093 0.6623 0.8931 0.039 Uiso 1 1 calc R . .
C4 C 0.4405(2) 0.58155(11) 0.9133(2) 0.0366(6) Uani 1 1 d . . .
H4A H 0.4510 0.5902 0.9911 0.044 Uiso 1 1 calc R . .
C5 C 0.3910(2) 0.52606(10) 0.8606(2) 0.0310(5) Uani 1 1 d . . .
H5A H 0.3676 0.4968 0.9016 0.037 Uiso 1 1 calc R . .
C6 C 0.37600(18) 0.51389(9) 0.74689(18) 0.0244(5) Uani 1 1 d . . .
C7 C 0.32667(18) 0.46325(9) 0.66441(19) 0.0249(5) Uani 1 1 d . . .
C8 C 0.2770(2) 0.40645(9) 0.6700(2) 0.0273(5) Uani 1 1 d . . .
H8A H 0.2741 0.3941 0.7407 0.033 Uiso 1 1 calc R . .
C9 C 0.23225(19) 0.36855(10) 0.5711(2) 0.0285(5) Uani 1 1 d . . .
C10 C 0.2379(2) 0.38713(9) 0.4675(2) 0.0290(5) Uani 1 1 d . . .
H10A H 0.2055 0.3611 0.3999 0.035 Uiso 1 1 calc R . .
C11 C 0.2887(2) 0.44186(10) 0.4607(2) 0.0306(6) Uani 1 1 d . . .
H11A H 0.2933 0.4533 0.3904 0.037 Uiso 1 1 calc R . .
C12 C 0.33328(19) 0.47998(10) 0.56005(19) 0.0273(5) Uani 1 1 d . . .
C13 C 0.1757(2) 0.30747(10) 0.5708(2) 0.0302(5) Uani 1 1 d . . .
C14 C 0.0509(2) 0.30042(10) 0.4741(2) 0.0301(5) Uani 1 1 d . . .
C15 C 0.0140(2) 0.24955(10) 0.4001(2) 0.0365(6) Uani 1 1 d . . .
H15A H 0.0683 0.2170 0.4120 0.044 Uiso 1 1 calc R . .
C16 C -0.1001(2) 0.24546(12) 0.3095(2) 0.0436(7) Uani 1 1 d . . .
H16A H -0.1239 0.2101 0.2601 0.052 Uiso 1 1 calc R . .
C17 C -0.1788(2) 0.29195(12) 0.2907(2) 0.0450(7) Uani 1 1 d . . .
H17A H -0.2570 0.2889 0.2277 0.054 Uiso 1 1 calc R . .
C18 C -0.1462(2) 0.34296(12) 0.3617(2) 0.0429(7) Uani 1 1 d . . .
H18A H -0.2016 0.3750 0.3488 0.052 Uiso 1 1 calc R . .
C19 C -0.0307(2) 0.34729(11) 0.4531(2) 0.0369(6) Uani 1 1 d . . .
H19A H -0.0075 0.3829 0.5018 0.044 Uiso 1 1 calc R . .
C21 C 0.10224(19) -0.00483(9) 0.64552(18) 0.0253(5) Uani 1 1 d . . .
C22 C 0.0975(2) -0.06855(10) 0.63414(19) 0.0334(6) Uani 1 1 d . . .
H22A H 0.0350 -0.0915 0.6367 0.040 Uiso 1 1 calc R . .
C23 C 0.1876(2) -0.09720(10) 0.6189(2) 0.0354(6) Uani 1 1 d . . .
H23A H 0.1853 -0.1405 0.6092 0.043 Uiso 1 1 calc R . .
C24 C 0.2810(2) -0.06421(10) 0.6175(2) 0.0358(6) Uani 1 1 d . . .
H24A H 0.3427 -0.0854 0.6097 0.043 Uiso 1 1 calc R . .
C25 C 0.2852(2) -0.00084(10) 0.62735(19) 0.0317(6) Uani 1 1 d . . .
H25A H 0.3489 0.0217 0.6261 0.038 Uiso 1 1 calc R . .
C26 C 0.19413(19) 0.02928(10) 0.63919(18) 0.0263(5) Uani 1 1 d . . .
C27 C 0.1679(2) 0.09312(9) 0.64860(18) 0.0252(5) Uani 1 1 d . . .
C28 C 0.2236(2) 0.14819(9) 0.64681(19) 0.0286(5) Uani 1 1 d . . .
H28A H 0.2956 0.1476 0.6405 0.034 Uiso 1 1 calc R . .
C29 C 0.1737(2) 0.20381(10) 0.65423(19) 0.0277(5) Uani 1 1 d . . .
C30 C 0.0685(2) 0.20339(10) 0.66569(19) 0.0289(5) Uani 1 1 d . . .
H30A H 0.0345 0.2415 0.6706 0.035 Uiso 1 1 calc R . .
C31 C 0.0127(2) 0.14986(10) 0.67005(19) 0.0304(5) Uani 1 1 d . . .
H31A H -0.0578 0.1506 0.6792 0.036 Uiso 1 1 calc R . .
C32 C 0.0633(2) 0.09447(10) 0.66058(18) 0.0268(5) Uani 1 1 d . . .
C33 C 0.2330(2) 0.26304(10) 0.6500(2) 0.0297(5) Uani 1 1 d . . .
C34 C 0.36105(19) 0.26728(9) 0.73816(19) 0.0249(5) Uani 1 1 d . . .
C35 C 0.4478(2) 0.28641(9) 0.7063(2) 0.0302(6) Uani 1 1 d . . .
H35A H 0.4248 0.2978 0.6263 0.036 Uiso 1 1 calc R . .
C36 C 0.5656(2) 0.28917(10) 0.7875(2) 0.0335(6) Uani 1 1 d . . .
H36A H 0.6226 0.3021 0.7629 0.040 Uiso 1 1 calc R . .
C37 C 0.6014(2) 0.27333(10) 0.9041(2) 0.0349(6) Uani 1 1 d . . .
H37A H 0.6827 0.2760 0.9603 0.042 Uiso 1 1 calc R . .
C38 C 0.5181(2) 0.25352(10) 0.9388(2) 0.0348(6) Uani 1 1 d . . .
H38A H 0.5421 0.2423 1.0191 0.042 Uiso 1 1 calc R . .
C39 C 0.3983(2) 0.24996(9) 0.8555(2) 0.0305(6) Uani 1 1 d . . .
H39A H 0.3418 0.2355 0.8796 0.037 Uiso 1 1 calc R . .
C41 C 0.3963(2) 0.57446(10) 0.4837(2) 0.0371(6) Uani 1 1 d . . .
H41A H 0.3971 0.5473 0.4213 0.045 Uiso 1 1 calc R . .
H41B H 0.4715 0.5979 0.5188 0.045 Uiso 1 1 calc R . .
C42 C 0.2941(2) 0.61824(12) 0.4290(2) 0.0443(7) Uani 1 1 d . . .
H42A H 0.3029 0.6434 0.3692 0.066 Uiso 1 1 calc R . .
H42B H 0.2928 0.6450 0.4907 0.066 Uiso 1 1 calc R . .
H42C H 0.2197 0.5950 0.3913 0.066 Uiso 1 1 calc R . .
C43 C -0.0733(2) 0.01622(11) 0.6834(2) 0.0353(6) Uani 1 1 d . . .
H43A H -0.1148 -0.0192 0.6322 0.042 Uiso 1 1 calc R . .
H43B H -0.1307 0.0505 0.6632 0.042 Uiso 1 1 calc R . .
C44 C -0.0308(2) -0.00145(11) 0.8121(2) 0.0416(7) Uani 1 1 d . . .
H44A H 0.0131 0.0329 0.8632 0.062 Uiso 1 1 calc R . .
H44B H 0.0212 -0.0374 0.8307 0.062 Uiso 1 1 calc R . .
H44C H -0.0992 -0.0113 0.8256 0.062 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
N1 0.0387(12) 0.0255(10) 0.0290(11) 0.0012(8) 0.0148(10) -0.0059(9)
N2 0.0254(11) 0.0255(10) 0.0346(11) 0.0021(8) 0.0150(9) -0.0007(9)
C1 0.0261(13) 0.0228(12) 0.0320(13) 0.0008(10) 0.0118(11) 0.0005(10)
C2 0.0291(13) 0.0234(12) 0.0373(14) 0.0010(10) 0.0138(11) -0.0020(10)
C3 0.0290(14) 0.0271(13) 0.0381(14) -0.0069(11) 0.0127(12) -0.0031(11)
C4 0.0413(16) 0.0364(14) 0.0340(14) -0.0030(11) 0.0186(13) 0.0014(12)
C5 0.0345(14) 0.0290(13) 0.0330(13) 0.0022(10) 0.0185(12) 0.0019(11)
C6 0.0202(12) 0.0238(12) 0.0274(13) 0.0026(9) 0.0092(10) 0.0044(9)
C7 0.0216(12) 0.0199(12) 0.0331(13) 0.0022(10) 0.0124(11) 0.0019(9)
C8 0.0269(13) 0.0242(12) 0.0334(13) 0.0044(10) 0.0161(11) 0.0032(10)
C9 0.0256(13) 0.0218(12) 0.0379(14) -0.0005(10) 0.0142(11) -0.0003(10)
C10 0.0301(14) 0.0226(12) 0.0322(13) -0.0029(10) 0.0123(11) -0.0009(10)
C11 0.0324(14) 0.0306(13) 0.0278(13) 0.0025(10) 0.0127(11) -0.0011(11)
C12 0.0244(13) 0.0242(12) 0.0294(13) 0.0002(9) 0.0090(11) -0.0005(10)
C13 0.0313(14) 0.0244(12) 0.0377(14) -0.0001(10) 0.0181(12) 0.0010(10)
C14 0.0307(14) 0.0252(12) 0.0348(13) 0.0044(10) 0.0153(11) -0.0011(10)
C15 0.0437(16) 0.0267(13) 0.0369(14) 0.0047(11) 0.0164(13) -0.0039(11)
C16 0.0454(17) 0.0410(16) 0.0414(15) 0.0025(12) 0.0171(14) -0.0194(14)
C17 0.0316(15) 0.0503(17) 0.0471(16) 0.0117(13) 0.0126(13) -0.0113(13)
C18 0.0323(15) 0.0453(16) 0.0563(17) 0.0134(13) 0.0246(14) 0.0085(13)
C19 0.0347(15) 0.0307(14) 0.0476(16) 0.0012(11) 0.0206(13) -0.0007(11)
C21 0.0257(13) 0.0231(12) 0.0230(12) 0.0007(9) 0.0074(10) -0.0006(10)
C22 0.0369(15) 0.0272(13) 0.0313(13) 0.0008(10) 0.0113(12) -0.0051(11)
C23 0.0485(17) 0.0219(12) 0.0343(14) 0.0000(10) 0.0174(13) 0.0009(12)
C24 0.0449(16) 0.0255(13) 0.0447(15) 0.0001(11) 0.0270(13) 0.0049(12)
C25 0.0353(14) 0.0307(14) 0.0321(13) -0.0003(10) 0.0179(12) 0.0014(11)
C26 0.0282(13) 0.0260(12) 0.0239(12) 0.0009(9) 0.0110(11) -0.0008(10)
C27 0.0277(13) 0.0216(12) 0.0243(12) 0.0010(9) 0.0102(10) -0.0005(10)
C28 0.0268(13) 0.0277(13) 0.0321(13) 0.0020(10) 0.0140(11) 0.0010(10)
C29 0.0275(13) 0.0242(12) 0.0315(13) 0.0028(10) 0.0134(11) -0.0007(10)
C30 0.0324(14) 0.0239(12) 0.0326(13) 0.0009(10) 0.0167(12) 0.0032(10)
C31 0.0267(13) 0.0299(13) 0.0358(14) 0.0022(10) 0.0154(11) 0.0039(11)
C32 0.0286(13) 0.0245(12) 0.0252(12) 0.0020(9) 0.0104(11) -0.0035(10)
C33 0.0316(14) 0.0268(13) 0.0353(14) -0.0027(10) 0.0192(12) 0.0011(10)
C34 0.0276(13) 0.0147(11) 0.0323(13) -0.0024(9) 0.0134(11) 0.0008(9)
C35 0.0326(14) 0.0211(12) 0.0389(14) 0.0035(10) 0.0179(12) 0.0040(10)
C36 0.0315(15) 0.0256(13) 0.0474(16) -0.0004(11) 0.0215(13) -0.0010(10)
C37 0.0268(14) 0.0299(13) 0.0421(16) -0.0061(11) 0.0105(12) -0.0014(11)
C38 0.0411(16) 0.0285(13) 0.0297(13) -0.0031(10) 0.0117(12) 0.0017(11)
C39 0.0339(14) 0.0227(12) 0.0399(14) -0.0015(10) 0.0213(12) -0.0003(10)
C41 0.0503(17) 0.0302(13) 0.0339(14) -0.0004(10) 0.0217(13) -0.0078(12)
C42 0.0459(17) 0.0439(16) 0.0363(15) 0.0088(12) 0.0127(13) -0.0067(13)
C43 0.0246(13) 0.0326(13) 0.0490(15) 0.0013(11) 0.0171(12) -0.0034(11)
C44 0.0408(16) 0.0420(15) 0.0539(17) 0.0054(12) 0.0318(14) -0.0039(13)

_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
N1 C1 1.384(3) . ?
N1 C12 1.387(3) . ?
N1 C41 1.472(3) . ?
N2 C21 1.381(3) . ?
N2 C32 1.385(3) . ?
N2 C43 1.460(3) . ?
C1 C2 1.393(3) . ?
C1 C6 1.417(3) . ?
C2 C3 1.383(3) . ?
C3 C4 1.387(3) . ?
C4 C5 1.385(3) . ?
C5 C6 1.389(3) . ?
C6 C7 1.450(3) . ?
C7 C8 1.404(3) . ?
C7 C12 1.409(3) . ?
C8 C9 1.387(3) . ?
C9 C10 1.404(3) . ?
C9 C13 1.510(3) . ?
C10 C11 1.376(3) . ?
C11 C12 1.394(3) . ?
C13 C33 1.344(3) . ?
C13 C14 1.503(3) . ?
C14 C15 1.387(3) . ?
C14 C19 1.389(3) . ?
C15 C16 1.379(3) . ?
C16 C17 1.363(4) . ?
C17 C18 1.368(4) . ?
C18 C19 1.395(3) . ?
C21 C22 1.393(3) . ?
C21 C26 1.413(3) . ?
C22 C23 1.388(3) . ?
C23 C24 1.392(3) . ?
C24 C25 1.384(3) . ?
C25 C26 1.393(3) . ?
C26 C27 1.446(3) . ?
C27 C28 1.397(3) . ?
C27 C32 1.401(3) . ?
C28 C29 1.389(3) . ?
C29 C30 1.404(3) . ?
C29 C33 1.506(3) . ?
C30 C31 1.377(3) . ?
C31 C32 1.396(3) . ?
C33 C34 1.496(3) . ?
C34 C39 1.390(3) . ?
C34 C35 1.395(3) . ?
C35 C36 1.374(3) . ?
C36 C37 1.376(3) . ?
C37 C38 1.384(3) . ?
C38 C39 1.400(3) . ?
C41 C42 1.499(3) . ?
C43 C44 1.513(3) . ?

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 N1 C12 108.28(18) . . ?
C1 N1 C41 124.20(18) . . ?
C12 N1 C41 126.22(18) . . ?
C21 N2 C32 108.53(18) . . ?
C21 N2 C43 125.01(18) . . ?
C32 N2 C43 126.08(18) . . ?
N1 C1 C2 129.1(2) . . ?
N1 C1 C6 109.57(18) . . ?
C2 C1 C6 121.4(2) . . ?
C3 C2 C1 117.8(2) . . ?
C2 C3 C4 121.3(2) . . ?
C5 C4 C3 121.2(2) . . ?
C4 C5 C6 118.9(2) . . ?
C5 C6 C1 119.4(2) . . ?
C5 C6 C7 134.6(2) . . ?
C1 C6 C7 105.97(18) . . ?
C8 C7 C12 119.63(19) . . ?
C8 C7 C6 133.6(2) . . ?
C12 C7 C6 106.77(18) . . ?
C9 C8 C7 119.1(2) . . ?
C8 C9 C10 119.9(2) . . ?
C8 C9 C13 121.6(2) . . ?
C10 C9 C13 118.50(19) . . ?
C11 C10 C9 122.2(2) . . ?
C10 C11 C12 117.9(2) . . ?
N1 C12 C11 129.4(2) . . ?
N1 C12 C7 109.33(18) . . ?
C11 C12 C7 121.3(2) . . ?
C33 C13 C14 123.0(2) . . ?
C33 C13 C9 122.5(2) . . ?
C14 C13 C9 114.47(19) . . ?
C15 C14 C19 117.7(2) . . ?
C15 C14 C13 122.5(2) . . ?
C19 C14 C13 119.7(2) . . ?
C16 C15 C14 121.1(2) . . ?
C17 C16 C15 120.2(2) . . ?
C16 C17 C18 120.6(2) . . ?
C17 C18 C19 119.2(2) . . ?
C14 C19 C18 121.1(2) . . ?
N2 C21 C22 129.6(2) . . ?
N2 C21 C26 109.37(18) . . ?
C22 C21 C26 121.0(2) . . ?
C23 C22 C21 117.6(2) . . ?
C22 C23 C24 121.8(2) . . ?
C25 C24 C23 120.7(2) . . ?
C24 C25 C26 118.6(2) . . ?
C25 C26 C21 120.2(2) . . ?
C25 C26 C27 133.9(2) . . ?
C21 C26 C27 105.94(19) . . ?
C28 C27 C32 119.6(2) . . ?
C28 C27 C26 133.4(2) . . ?
C32 C27 C26 107.03(18) . . ?
C29 C28 C27 119.9(2) . . ?
C28 C29 C30 119.0(2) . . ?
C28 C29 C33 119.6(2) . . ?
C30 C29 C33 121.43(19) . . ?
C31 C30 C29 122.6(2) . . ?
C30 C31 C32 117.6(2) . . ?
N2 C32 C31 129.4(2) . . ?
N2 C32 C27 109.13(19) . . ?
C31 C32 C27 121.4(2) . . ?
C13 C33 C34 123.1(2) . . ?
C13 C33 C29 122.3(2) . . ?
C34 C33 C29 114.55(18) . . ?
C39 C34 C35 117.4(2) . . ?
C39 C34 C33 120.4(2) . . ?
C35 C34 C33 122.1(2) . . ?
C36 C35 C34 121.8(2) . . ?
C35 C36 C37 120.4(2) . . ?
C36 C37 C38 119.5(2) . . ?
C37 C38 C39 119.9(2) . . ?
C34 C39 C38 121.0(2) . . ?
N1 C41 C42 111.3(2) . . ?
N2 C43 C44 111.9(2) . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         0.273
_refine_diff_density_min         -0.179
_refine_diff_density_rms         0.046
_database_code_depnum_ccdc_archive 'CCDC 969370'