# Supplementary Material (ESI) for Journal of Materials Chemistry
# This journal is (c) The Royal Society of Chemistry 2007

data_global
_journal_name_full               J.Mater.Chem.

_journal_coden_Cambridge         1145

_publ_contact_author_name        'Jingui Qin'
_publ_contact_author_address     
;
Wuhan University
Wuhan
430072
CHINA
;

_publ_contact_author_email       JGQIN@WHU.EDU.CN

_publ_section_title              
;
Two-photon absorption of a series of V-shape
molecules: The influence of acceptor's strength on two-photon absorption
in noncentrosymmetric D-pi-A-pi-D system
;
loop_
_publ_author_name
'Jingui Qin'
'Tao Chen'
'Ting Huang'
'Zhenli Huang'
'Suyue Li'
;
Zijun Liu
;
'Bo Liu'
'Yuxi Xu'

data_060630am
_database_code_depnum_ccdc_archive 'CCDC 646600'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38 H47 N5'
_chemical_formula_weight         573.81

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   C2/c

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

_cell_length_a                   22.745(3)
_cell_length_b                   13.9148(18)
_cell_length_c                   12.2573(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 119.369(2)
_cell_angle_gamma                90.00
_cell_volume                     3380.7(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    292(2)
_cell_measurement_reflns_used    1716
_cell_measurement_theta_min      2.96
_cell_measurement_theta_max      20.57

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_crystal_density_diffrn    1.127
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1240
_exptl_absorpt_coefficient_mu    0.067
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.9802
_exptl_absorpt_correction_T_max  0.9868
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      292(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10013
_diffrn_reflns_av_R_equivalents  0.1009
_diffrn_reflns_av_sigmaI/netI    0.0919
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         1.79
_diffrn_reflns_theta_max         25.00
_reflns_number_total             2967
_reflns_number_gt                1521
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker 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^)+(0.1033P)^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    constrl
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0005(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_number_reflns         2967
_refine_ls_number_parameters     201
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1235
_refine_ls_R_factor_gt           0.0694
_refine_ls_wR_factor_ref         0.2053
_refine_ls_wR_factor_gt          0.1725
_refine_ls_goodness_of_fit_ref   0.977
_refine_ls_restrained_S_all      0.977
_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
N1 N 0.03148(9) 0.22234(17) 0.19571(16) 0.0788(6) Uani 1 1 d . . .
C2 C 0.03187(11) 0.1256(2) 0.1968(2) 0.0774(7) Uani 1 1 d . . .
C15 C 0.0000 0.2661(3) 0.2500 0.0713(9) Uani 1 2 d S . .
C16 C 0.0000 0.3722(3) 0.2500 0.0748(9) Uani 1 2 d S . .
C4 C 0.10652(12) 0.12098(19) 0.1058(2) 0.0839(7) Uani 1 1 d . . .
H4 H 0.1078 0.1875 0.1144 0.101 Uiso 1 1 calc R . .
C3 C 0.06848(12) 0.07663(19) 0.1426(2) 0.0827(7) Uani 1 1 d . . .
H3 H 0.0645 0.0102 0.1338 0.099 Uiso 1 1 calc R . .
C1 C 0.0000 0.0750(3) 0.2500 0.0846(10) Uani 1 2 d S . .
H1 H 0.0000 0.0082 0.2500 0.102 Uiso 1 2 calc SR . .
C18 C 0.02062(14) 0.5231(2) 0.1781(2) 0.0897(8) Uani 1 1 d . . .
H18 H 0.0346 0.5551 0.1283 0.108 Uiso 1 1 calc R . .
N3 N 0.0000 0.6760(2) 0.2500 0.1039(10) Uani 1 2 d S . .
C5 C 0.14715(12) 0.0828(2) 0.0535(2) 0.0818(7) Uani 1 1 d . . .
C19 C 0.0000 0.5766(3) 0.2500 0.0828(10) Uani 1 2 d S . .
C17 C 0.02069(13) 0.4252(2) 0.1793(2) 0.0850(8) Uani 1 1 d . . .
H17 H 0.0352 0.3927 0.1307 0.102 Uiso 1 1 calc R . .
C7 C 0.14664(12) -0.0121(2) 0.0195(2) 0.0880(8) Uani 1 1 d . . .
H7 H 0.1174 -0.0550 0.0268 0.106 Uiso 1 1 calc R . .
N2 N 0.27591(14) -0.0168(2) -0.0773(3) 0.1215(9) Uani 1 1 d . . .
C10 C 0.23384(14) 0.0153(2) -0.0356(2) 0.0951(9) Uani 1 1 d . . .
C9 C 0.18787(13) -0.0449(2) -0.0247(3) 0.0955(8) Uani 1 1 d . . .
H9 H 0.1852 -0.1090 -0.0481 0.115 Uiso 1 1 calc R . .
C8 C 0.23420(17) 0.1103(2) -0.0011(3) 0.1171(11) Uani 1 1 d . . .
H8 H 0.2634 0.1536 -0.0080 0.141 Uiso 1 1 calc R . .
C6 C 0.19269(17) 0.1420(2) 0.0426(3) 0.1130(10) Uani 1 1 d . . .
H6 H 0.1952 0.2061 0.0659 0.136 Uiso 1 1 calc R . .
C20 C -0.00968(18) 0.7309(2) 0.3406(3) 0.1190(11) Uani 1 1 d . . .
H20A H 0.0159 0.7902 0.3583 0.143 Uiso 1 1 calc R . .
H20B H 0.0086 0.6946 0.4180 0.143 Uiso 1 1 calc R . .
C13 C 0.27646(17) -0.1172(3) -0.1134(3) 0.1226(11) Uani 1 1 d . . .
H13A H 0.2314 -0.1439 -0.1473 0.147 Uiso 1 1 calc R . .
H13B H 0.2889 -0.1196 -0.1786 0.147 Uiso 1 1 calc R . .
C11 C 0.33175(19) 0.0489(3) -0.0742(4) 0.1357(13) Uani 1 1 d . . .
H11A H 0.3468 0.0947 -0.0060 0.163 Uiso 1 1 calc R . .
H11B H 0.3702 0.0107 -0.0620 0.163 Uiso 1 1 calc R . .
C14 C 0.3231(2) -0.1748(3) -0.0086(4) 0.1557(15) Uani 1 1 d . . .
H14A H 0.3671 -0.1459 0.0292 0.233 Uiso 1 1 calc R . .
H14B H 0.3253 -0.2383 -0.0372 0.233 Uiso 1 1 calc R . .
H14C H 0.3080 -0.1787 0.0519 0.233 Uiso 1 1 calc R . .
C12 C 0.3033(2) 0.0986(4) -0.1921(4) 0.1780(17) Uani 1 1 d . . .
H12A H 0.2919 0.0530 -0.2582 0.267 Uiso 1 1 calc R . .
H12B H 0.3356 0.1436 -0.1908 0.267 Uiso 1 1 calc R . .
H12C H 0.2634 0.1323 -0.2059 0.267 Uiso 1 1 calc R . .
C21 C -0.0811(2) 0.7550(3) 0.3001(4) 0.1741(17) Uani 1 1 d . . .
H21A H -0.0985 0.7963 0.2282 0.261 Uiso 1 1 calc R . .
H21B H -0.0836 0.7872 0.3669 0.261 Uiso 1 1 calc R . .
H21C H -0.1073 0.6970 0.2790 0.261 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 0.0709(12) 0.0930(16) 0.0793(13) -0.0022(11) 0.0420(11) 0.0011(11)
C2 0.0613(14) 0.0871(19) 0.0801(16) -0.0013(14) 0.0318(13) 0.0014(14)
C15 0.0614(19) 0.086(3) 0.0643(19) 0.000 0.0294(16) 0.000
C16 0.070(2) 0.096(3) 0.066(2) 0.000 0.0396(17) 0.000
C4 0.0839(16) 0.0899(19) 0.0829(17) 0.0069(13) 0.0448(14) 0.0061(15)
C3 0.0771(16) 0.0871(18) 0.0930(18) -0.0004(14) 0.0488(15) 0.0024(14)
C1 0.075(2) 0.085(3) 0.102(3) 0.000 0.050(2) 0.000
C18 0.107(2) 0.101(2) 0.0808(17) 0.0064(15) 0.0615(16) 0.0025(16)
N3 0.154(3) 0.088(2) 0.095(2) 0.000 0.080(2) 0.000
C5 0.0841(17) 0.0874(19) 0.0864(17) 0.0108(14) 0.0516(15) 0.0111(15)
C19 0.095(2) 0.089(3) 0.070(2) 0.000 0.045(2) 0.000
C17 0.0991(18) 0.091(2) 0.0802(17) 0.0015(14) 0.0562(15) 0.0062(15)
C7 0.0744(16) 0.103(2) 0.0927(18) -0.0044(15) 0.0458(15) -0.0054(15)
N2 0.127(2) 0.120(2) 0.165(2) 0.0017(18) 0.109(2) 0.0086(17)
C10 0.098(2) 0.106(2) 0.104(2) 0.0109(16) 0.0673(18) 0.0129(18)
C9 0.0862(18) 0.101(2) 0.114(2) -0.0108(16) 0.0599(17) -0.0017(15)
C8 0.145(3) 0.102(3) 0.160(3) 0.012(2) 0.118(3) 0.000(2)
C6 0.153(3) 0.088(2) 0.150(3) 0.0102(18) 0.115(2) 0.0007(19)
C20 0.161(3) 0.100(2) 0.110(2) -0.0144(18) 0.077(2) -0.011(2)
C13 0.106(2) 0.159(3) 0.120(3) -0.013(2) 0.068(2) 0.008(2)
C11 0.151(3) 0.151(3) 0.149(3) 0.011(3) 0.108(3) 0.027(3)
C14 0.123(3) 0.173(4) 0.164(3) 0.014(3) 0.065(3) 0.015(3)
C12 0.181(4) 0.240(5) 0.133(3) -0.023(3) 0.092(3) -0.010(4)
C21 0.208(5) 0.163(4) 0.211(4) 0.002(3) 0.149(4) 0.029(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
N1 C15 1.339(2) . ?
N1 C2 1.346(3) . ?
C2 C1 1.383(3) . ?
C2 C3 1.463(3) . ?
C15 N1 1.339(2) 2 ?
C15 C16 1.478(5) . ?
C16 C17 1.384(3) . ?
C16 C17 1.384(3) 2 ?
C4 C3 1.310(3) . ?
C4 C5 1.459(3) . ?
C4 H4 0.9300 . ?
C3 H3 0.9300 . ?
C1 C2 1.383(3) 2 ?
C1 H1 0.9300 . ?
C18 C17 1.362(3) . ?
C18 C19 1.398(3) . ?
C18 H18 0.9300 . ?
N3 C19 1.383(4) . ?
N3 C20 1.452(3) 2 ?
N3 C20 1.452(3) . ?
C5 C6 1.381(4) . ?
C5 C7 1.383(3) . ?
C19 C18 1.398(3) 2 ?
C17 H17 0.9300 . ?
C7 C9 1.371(3) . ?
C7 H7 0.9300 . ?
N2 C10 1.363(3) . ?
N2 C13 1.468(4) . ?
N2 C11 1.550(4) . ?
C10 C8 1.387(4) . ?
C10 C9 1.396(4) . ?
C9 H9 0.9300 . ?
C8 C6 1.367(4) . ?
C8 H8 0.9300 . ?
C6 H6 0.9300 . ?
C20 C21 1.485(5) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C13 C14 1.443(5) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C11 C12 1.438(5) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 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
C15 N1 C2 116.9(2) . . ?
N1 C2 C1 120.8(2) . . ?
N1 C2 C3 117.7(2) . . ?
C1 C2 C3 121.5(3) . . ?
N1 C15 N1 126.0(3) . 2 ?
N1 C15 C16 117.02(17) . . ?
N1 C15 C16 117.02(17) 2 . ?
C17 C16 C17 115.6(4) . 2 ?
C17 C16 C15 122.21(18) . . ?
C17 C16 C15 122.20(18) 2 . ?
C3 C4 C5 130.3(3) . . ?
C3 C4 H4 114.8 . . ?
C5 C4 H4 114.8 . . ?
C4 C3 C2 123.7(3) . . ?
C4 C3 H3 118.1 . . ?
C2 C3 H3 118.1 . . ?
C2 C1 C2 118.7(4) . 2 ?
C2 C1 H1 120.6 . . ?
C2 C1 H1 120.6 2 . ?
C17 C18 C19 121.6(2) . . ?
C17 C18 H18 119.2 . . ?
C19 C18 H18 119.2 . . ?
C19 N3 C20 121.79(17) . 2 ?
C19 N3 C20 121.79(17) . . ?
C20 N3 C20 116.4(3) 2 . ?
C6 C5 C7 115.9(2) . . ?
C6 C5 C4 119.5(3) . . ?
C7 C5 C4 124.5(2) . . ?
N3 C19 C18 122.17(18) . . ?
N3 C19 C18 122.17(18) . 2 ?
C18 C19 C18 115.7(4) . 2 ?
C18 C17 C16 122.7(2) . . ?
C18 C17 H17 118.6 . . ?
C16 C17 H17 118.6 . . ?
C9 C7 C5 122.0(3) . . ?
C9 C7 H7 119.0 . . ?
C5 C7 H7 119.0 . . ?
C10 N2 C13 122.5(3) . . ?
C10 N2 C11 121.0(3) . . ?
C13 N2 C11 116.2(2) . . ?
N2 C10 C8 121.8(3) . . ?
N2 C10 C9 122.4(3) . . ?
C8 C10 C9 115.9(2) . . ?
C7 C9 C10 121.9(3) . . ?
C7 C9 H9 119.1 . . ?
C10 C9 H9 119.1 . . ?
C6 C8 C10 121.6(3) . . ?
C6 C8 H8 119.2 . . ?
C10 C8 H8 119.2 . . ?
C8 C6 C5 122.7(3) . . ?
C8 C6 H6 118.6 . . ?
C5 C6 H6 118.6 . . ?
N3 C20 C21 114.5(3) . . ?
N3 C20 H20A 108.6 . . ?
C21 C20 H20A 108.6 . . ?
N3 C20 H20B 108.6 . . ?
C21 C20 H20B 108.6 . . ?
H20A C20 H20B 107.6 . . ?
C14 C13 N2 111.8(3) . . ?
C14 C13 H13A 109.3 . . ?
N2 C13 H13A 109.3 . . ?
C14 C13 H13B 109.3 . . ?
N2 C13 H13B 109.3 . . ?
H13A C13 H13B 107.9 . . ?
C12 C11 N2 107.4(4) . . ?
C12 C11 H11A 110.2 . . ?
N2 C11 H11A 110.2 . . ?
C12 C11 H11B 110.2 . . ?
N2 C11 H11B 110.2 . . ?
H11A C11 H11B 108.5 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 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
C15 N1 C2 C1 1.1(3) . . . . ?
C15 N1 C2 C3 -177.45(16) . . . . ?
C2 N1 C15 N1 -0.53(14) . . . 2 ?
C2 N1 C15 C16 179.47(14) . . . . ?
N1 C15 C16 C17 11.04(15) . . . . ?
N1 C15 C16 C17 -168.96(15) 2 . . . ?
N1 C15 C16 C17 -168.96(15) . . . 2 ?
N1 C15 C16 C17 11.04(15) 2 . . 2 ?
C5 C4 C3 C2 178.3(2) . . . . ?
N1 C2 C3 C4 7.6(3) . . . . ?
C1 C2 C3 C4 -170.9(2) . . . . ?
N1 C2 C1 C2 -0.55(14) . . . 2 ?
C3 C2 C1 C2 177.9(2) . . . 2 ?
C3 C4 C5 C6 -168.3(3) . . . . ?
C3 C4 C5 C7 7.7(4) . . . . ?
C20 N3 C19 C18 11.3(2) 2 . . . ?
C20 N3 C19 C18 -168.7(2) . . . . ?
C20 N3 C19 C18 -168.7(2) 2 . . 2 ?
C20 N3 C19 C18 11.3(2) . . . 2 ?
C17 C18 C19 N3 179.70(18) . . . . ?
C17 C18 C19 C18 -0.30(18) . . . 2 ?
C19 C18 C17 C16 0.6(4) . . . . ?
C17 C16 C17 C18 -0.31(18) 2 . . . ?
C15 C16 C17 C18 179.69(18) . . . . ?
C6 C5 C7 C9 -1.2(4) . . . . ?
C4 C5 C7 C9 -177.4(2) . . . . ?
C13 N2 C10 C8 179.7(3) . . . . ?
C11 N2 C10 C8 6.9(5) . . . . ?
C13 N2 C10 C9 -0.3(5) . . . . ?
C11 N2 C10 C9 -173.1(3) . . . . ?
C5 C7 C9 C10 1.3(4) . . . . ?
N2 C10 C9 C7 178.8(3) . . . . ?
C8 C10 C9 C7 -1.2(4) . . . . ?
N2 C10 C8 C6 -178.9(3) . . . . ?
C9 C10 C8 C6 1.0(4) . . . . ?
C10 C8 C6 C5 -1.1(5) . . . . ?
C7 C5 C6 C8 1.1(4) . . . . ?
C4 C5 C6 C8 177.5(3) . . . . ?
C19 N3 C20 C21 -90.6(3) . . . . ?
C20 N3 C20 C21 89.4(3) 2 . . . ?
C10 N2 C13 C14 -89.5(4) . . . . ?
C11 N2 C13 C14 83.5(4) . . . . ?
C10 N2 C11 C12 -90.9(4) . . . . ?
C13 N2 C11 C12 95.9(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         0.313
_refine_diff_density_min         -0.163
_refine_diff_density_rms         0.042