data_2203366
loop_
_publ_author_name
'Ocak, Nazan'
'I\,s\?ik, \,Samil'
'Akdemir, Nesuhi'
'A\~gar, Erbil'
'G\"umr\"uk\,c\"uo\~glu, Ismail Erdem'
_publ_section_title
;
2,7-Bis(3,4-dicyanophenoxy)naphthalene
;
_journal_issue                 3
_journal_name_full             'Acta Crystallographica, Section E'
_journal_page_first            o435
_journal_page_last             o436
_journal_volume                60
_journal_year                  2004
_chemical_formula_iupac        'C26 H12 N4 O2'
_chemical_formula_moiety       'C26 H12 N4 O2'
_chemical_formula_sum          'C26 H12 N4 O2'
_chemical_formula_weight       412.40
_chemical_melting_point        ?
_chemical_name_common          2,7-Bis(3',4'-dicyanophenoxy)naphthalene
_chemical_name_systematic
;
4,4'-Naphthalene-2,7-dioxydibenzene-1,2-dicarbonitrile
;
_symmetry_cell_setting         monoclinic
_symmetry_space_group_name_Hall '-P 2yn'
_symmetry_space_group_name_H-M 'P 21/n'
_atom_sites_solution_hydrogens geom
_atom_sites_solution_primary   direct
_atom_sites_solution_secondary difmap
_cell_angle_alpha              90.00
_cell_angle_beta               97.400(9)
_cell_angle_gamma              90.00
_cell_formula_units_Z          4
_cell_length_a                 8.3592(10)
_cell_length_b                 7.5300(5)
_cell_length_c                 31.368(3)
_cell_measurement_reflns_used  8818
_cell_measurement_temperature  293(2)
_cell_measurement_theta_max    25.7
_cell_measurement_theta_min    2.0
_cell_volume                   1958.0(3)
_computing_cell_refinement     X-AREA
_computing_data_collection     'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction      'X-RED (Stoe & Cie, 2002)'
_computing_molecular_graphics  'ORTEPIII (Burnett & Johnson, 1996)'
_computing_publication_material
'WinGX (Farrugia, 1997) and PARST (Nardelli, 1995)'
_computing_structure_refinement 'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution  'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature    293(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type 'Stoe IPDS-2'
_diffrn_measurement_method     \w
_diffrn_radiation_monochromator graphite
_diffrn_radiation_source       'fine-focus sealed tube'
_diffrn_radiation_type         MoK\a
_diffrn_radiation_wavelength   0.71073
_diffrn_reflns_av_R_equivalents 0.064
_diffrn_reflns_av_sigmaI/netI  0.059
_diffrn_reflns_limit_h_max     10
_diffrn_reflns_limit_h_min     -10
_diffrn_reflns_limit_k_max     9
_diffrn_reflns_limit_k_min     -9
_diffrn_reflns_limit_l_max     38
_diffrn_reflns_limit_l_min     -38
_diffrn_reflns_number          21357
_diffrn_reflns_theta_full      26.0
_diffrn_reflns_theta_max       26.0
_diffrn_reflns_theta_min       2.5
_diffrn_standards_decay_%      0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time 0
_diffrn_standards_number       0
_exptl_absorpt_coefficient_mu  0.09
_exptl_absorpt_correction_T_max ?
_exptl_absorpt_correction_T_min ?
_exptl_absorpt_correction_type none
_exptl_absorpt_process_details ?
_exptl_crystal_colour          colourless
_exptl_crystal_density_diffrn  1.399
_exptl_crystal_density_meas    ?
_exptl_crystal_density_method  'not measured'
_exptl_crystal_description     prismatic
_exptl_crystal_F_000           848
_exptl_crystal_size_max        0.50
_exptl_crystal_size_mid        0.31
_exptl_crystal_size_min        0.07
_refine_diff_density_max       0.13
_refine_diff_density_min       -0.13
_refine_ls_extinction_coef     0.0097(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method   SHELXL97
_refine_ls_goodness_of_fit_ref 0.77
_refine_ls_hydrogen_treatment  constr
_refine_ls_matrix_type         full
_refine_ls_number_parameters   290
_refine_ls_number_reflns       3856
_refine_ls_number_restraints   0
_refine_ls_restrained_S_all    0.77
_refine_ls_R_factor_all        0.090
_refine_ls_R_factor_gt         0.036
_refine_ls_shift/su_max        0.001
_refine_ls_shift/su_mean       0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0424P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme    calc
_refine_ls_wR_factor_gt        0.074
_refine_ls_wR_factor_ref       0.084
_reflns_number_gt              1929
_reflns_number_total           3856
_reflns_threshold_expression   I>2\s(I)
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
O1 0.73249(15) 0.29816(18) 0.25158(4) 0.0642(4) Uani d . 1 . . O
O2 0.06903(14) 0.03890(17) 0.09202(4) 0.0591(4) Uani d . 1 . . O
C16 0.2977(2) 0.1342(2) 0.14229(5) 0.0503(5) Uani d . 1 . . C
H16 0.3694 0.0752 0.1269 0.060 Uiso calc R 1 . . H
C18 0.5192(2) 0.2184(2) 0.19854(5) 0.0506(5) Uani d . 1 . . C
H18 0.5940 0.1586 0.1843 0.061 Uiso calc R 1 . . H
C12 0.2434(2) 0.3141(2) 0.20340(5) 0.0478(4) Uani d . 1 . . C
C17 0.3553(2) 0.2231(2) 0.18103(5) 0.0455(4) Uani d . 1 . . C
C15 0.1377(2) 0.1353(2) 0.12778(5) 0.0497(5) Uani d . 1 . . C
C14 0.0251(2) 0.2222(2) 0.14978(6) 0.0551(5) Uani d . 1 . . C
H14 -0.0842 0.2197 0.1394 0.066 Uiso calc R 1 . . H
C9 0.5670(2) 0.3017(2) 0.23636(6) 0.0530(5) Uani d . 1 . . C
C4 0.9506(2) 0.2419(2) 0.30314(6) 0.0538(5) Uani d . 1 . . C
H4 1.0160 0.2817 0.2833 0.065 Uiso calc R 1 . . H
C13 0.0783(2) 0.3101(2) 0.18655(6) 0.0543(5) Uani d . 1 . . C
H13 0.0042 0.3694 0.2011 0.065 Uiso calc R 1 . . H
C10 0.4601(3) 0.4000(2) 0.25771(6) 0.0596(5) Uani d . 1 . . C
H10 0.4971 0.4617 0.2827 0.071 Uiso calc R 1 . . H
C5 0.7850(2) 0.2410(2) 0.29267(5) 0.0524(5) Uani d . 1 . . C
C11 0.3015(2) 0.4045(2) 0.24159(6) 0.0565(5) Uani d . 1 . . C
H11 0.2299 0.4684 0.2560 0.068 Uiso calc R 1 . . H
C24 0.1268(2) -0.1447(3) 0.03630(5) 0.0506(5) Uani d . 1 . . C
H24 0.0722 -0.2361 0.0482 0.061 Uiso calc R 1 . . H
C3 1.0190(2) 0.1839(2) 0.34300(6) 0.0508(5) Uani d . 1 . . C
C8 0.9208(2) 0.1263(2) 0.37297(5) 0.0522(5) Uani d . 1 . . C
C19 0.1498(2) 0.0169(3) 0.05695(5) 0.0488(5) Uani d . 1 . . C
C23 0.1868(2) -0.1680(3) -0.00255(5) 0.0498(5) Uani d . 1 . . C
C22 0.2702(2) -0.0312(3) -0.01989(5) 0.0511(5) Uani d . 1 . . C
C7 0.7554(2) 0.1273(3) 0.36213(6) 0.0586(5) Uani d . 1 . . C
H7 0.6894 0.0900 0.3821 0.070 Uiso calc R 1 . . H
C2 1.1910(3) 0.1813(3) 0.35332(6) 0.0603(5) Uani d . 1 . . C
C6 0.6871(2) 0.1831(2) 0.32191(6) 0.0568(5) Uani d . 1 . . C
H6 0.5757 0.1815 0.3146 0.068 Uiso calc R 1 . . H
C25 0.1560(2) -0.3325(3) -0.02555(6) 0.0609(5) Uani d . 1 . . C
C26 0.3246(2) -0.0518(3) -0.06134(7) 0.0646(6) Uani d . 1 . . C
C21 0.2951(2) 0.1267(3) 0.00232(6) 0.0580(5) Uani d . 1 . . C
H21 0.3534 0.2172 -0.0087 0.070 Uiso calc R 1 . . H
C20 0.2345(2) 0.1516(3) 0.04061(6) 0.0558(5) Uani d . 1 . . C
H20 0.2508 0.2586 0.0553 0.067 Uiso calc R 1 . . H
N3 0.1270(2) -0.4615(3) -0.04421(6) 0.0845(6) Uani d . 1 . . N
N1 1.0527(2) 0.0304(3) 0.44813(6) 0.0895(6) Uani d . 1 . . N
N2 1.3276(2) 0.1787(3) 0.36167(6) 0.0832(6) Uani d . 1 . . N
C1 0.9928(2) 0.0721(3) 0.41484(7) 0.0641(6) Uani d . 1 . . C
N4 0.3655(2) -0.0660(3) -0.09433(6) 0.0894(6) Uani d . 1 . . N
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
O1 0.0586(9) 0.0870(10) 0.0463(7) -0.0125(7) 0.0040(6) 0.0055(7)
O2 0.0520(7) 0.0769(9) 0.0485(7) -0.0082(7) 0.0074(6) -0.0108(7)
C16 0.0499(11) 0.0575(12) 0.0445(10) 0.0064(9) 0.0099(9) -0.0016(9)
C18 0.0530(12) 0.0548(12) 0.0446(10) 0.0003(9) 0.0087(9) -0.0004(9)
C12 0.0604(12) 0.0411(10) 0.0431(10) 0.0060(9) 0.0114(9) 0.0034(8)
C17 0.0530(11) 0.0438(11) 0.0405(10) 0.0014(9) 0.0095(8) 0.0021(8)
C15 0.0520(12) 0.0533(12) 0.0440(10) 0.0005(9) 0.0063(9) -0.0010(9)
C14 0.0506(11) 0.0628(13) 0.0522(11) 0.0087(10) 0.0082(9) 0.0027(10)
C9 0.0558(12) 0.0560(13) 0.0464(11) -0.0064(10) 0.0043(9) 0.0019(9)
C4 0.0523(12) 0.0588(12) 0.0518(11) -0.0102(9) 0.0130(9) -0.0066(9)
C13 0.0575(12) 0.0551(12) 0.0523(11) 0.0122(10) 0.0147(9) 0.0037(9)
C10 0.0755(15) 0.0533(13) 0.0498(11) -0.0052(11) 0.0077(10) -0.0063(9)
C5 0.0553(12) 0.0579(12) 0.0429(10) -0.0097(9) 0.0027(9) -0.0023(9)
C11 0.0726(14) 0.0496(12) 0.0499(11) 0.0054(10) 0.0180(10) -0.0021(9)
C24 0.0480(11) 0.0544(12) 0.0482(10) -0.0003(9) 0.0016(8) 0.0027(9)
C3 0.0472(11) 0.0530(12) 0.0523(11) -0.0020(9) 0.0063(9) -0.0103(9)
C8 0.0542(12) 0.0554(12) 0.0464(10) -0.0004(9) 0.0039(9) -0.0025(9)
C19 0.0409(10) 0.0642(13) 0.0406(10) 0.0045(9) 0.0029(8) 0.0008(9)
C23 0.0438(10) 0.0575(12) 0.0471(10) 0.0053(9) 0.0019(8) -0.0027(9)
C22 0.0401(10) 0.0672(13) 0.0457(10) 0.0027(9) 0.0042(8) 0.0009(10)
C7 0.0546(13) 0.0699(14) 0.0516(11) -0.0068(10) 0.0084(9) 0.0057(10)
C2 0.0532(13) 0.0667(14) 0.0612(12) -0.0024(11) 0.0081(10) -0.0145(10)
C6 0.0476(11) 0.0662(13) 0.0563(12) -0.0097(10) 0.0055(9) 0.0032(10)
C25 0.0609(13) 0.0688(14) 0.0532(12) 0.0057(11) 0.0081(10) -0.0018(11)
C26 0.0437(11) 0.0908(16) 0.0598(13) 0.0009(11) 0.0085(10) 0.0014(11)
C21 0.0482(11) 0.0707(15) 0.0546(12) -0.0068(10) 0.0050(9) 0.0086(10)
C20 0.0530(11) 0.0610(13) 0.0519(11) -0.0067(10) 0.0005(9) -0.0002(10)
N3 0.0979(15) 0.0804(14) 0.0760(13) -0.0004(12) 0.0146(11) -0.0187(11)
N1 0.0832(14) 0.1134(16) 0.0692(12) 0.0141(12) -0.0007(10) 0.0146(12)
N2 0.0593(12) 0.0959(15) 0.0934(14) -0.0015(10) 0.0058(10) -0.0274(11)
C1 0.0568(13) 0.0740(15) 0.0610(13) 0.0045(11) 0.0050(10) 0.0017(11)
N4 0.0719(12) 0.1353(18) 0.0649(12) 0.0032(12) 0.0242(10) -0.0034(11)
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C5 O1 C9 . . 120.36(14) ?
C19 O2 C15 . . 120.85(13) ?
C15 C16 C17 . . 119.75(17) ?
C15 C16 H16 . . 120.1 ?
C17 C16 H16 . . 120.1 ?
C9 C18 C17 . . 119.41(17) ?
C9 C18 H18 . . 120.3 ?
C17 C18 H18 . . 120.3 ?
C11 C12 C13 . . 122.82(17) ?
C11 C12 C17 . . 118.53(17) ?
C13 C12 C17 . . 118.65(16) ?
C18 C17 C12 . . 119.35(16) ?
C18 C17 C16 . . 121.87(16) ?
C12 C17 C16 . . 118.75(16) ?
C16 C15 O2 . . 123.51(16) ?
C16 C15 C14 . . 122.30(17) ?
O2 C15 C14 . . 113.99(16) ?
C13 C14 C15 . . 118.72(18) ?
C13 C14 H14 . . 120.6 ?
C15 C14 H14 . . 120.6 ?
C18 C9 C10 . . 122.03(18) ?
C18 C9 O1 . . 117.05(17) ?
C10 C9 O1 . . 120.70(17) ?
C3 C4 C5 . . 120.02(17) ?
C3 C4 H4 . . 120.0 ?
C5 C4 H4 . . 120.0 ?
C14 C13 C12 . . 121.81(17) ?
C14 C13 H13 . . 119.1 ?
C12 C13 H13 . . 119.1 ?
C11 C10 C9 . . 119.31(18) ?
C11 C10 H10 . . 120.3 ?
C9 C10 H10 . . 120.3 ?
C6 C5 O1 . . 125.34(17) ?
C6 C5 C4 . . 120.46(17) ?
O1 C5 C4 . . 114.19(16) ?
C10 C11 C12 . . 121.22(18) ?
C10 C11 H11 . . 119.4 ?
C12 C11 H11 . . 119.4 ?
C19 C24 C23 . . 118.65(17) ?
C19 C24 H24 . . 120.7 ?
C23 C24 H24 . . 120.7 ?
C4 C3 C8 . . 119.95(16) ?
C4 C3 C2 . . 119.78(17) ?
C8 C3 C2 . . 120.28(17) ?
C7 C8 C3 . . 119.34(16) ?
C7 C8 C1 . . 121.09(17) ?
C3 C8 C1 . . 119.55(17) ?
O2 C19 C20 . . 122.69(17) ?
O2 C19 C24 . . 115.43(16) ?
C20 C19 C24 . . 121.55(16) ?
C24 C23 C22 . . 120.35(17) ?
C24 C23 C25 . . 119.15(17) ?
C22 C23 C25 . . 120.46(16) ?
C21 C22 C23 . . 119.36(16) ?
C21 C22 C26 . . 120.25(18) ?
C23 C22 C26 . . 120.34(18) ?
C8 C7 C6 . . 120.63(17) ?
C8 C7 H7 . . 119.7 ?
C6 C7 H7 . . 119.7 ?
N2 C2 C3 . . 179.7(3) ?
C5 C6 C7 . . 119.60(18) ?
C5 C6 H6 . . 120.2 ?
C7 C6 H6 . . 120.2 ?
N3 C25 C23 . . 178.0(2) ?
N4 C26 C22 . . 178.8(2) ?
C20 C21 C22 . . 120.65(18) ?
C20 C21 H21 . . 119.7 ?
C22 C21 H21 . . 119.7 ?
C19 C20 C21 . . 119.39(19) ?
C19 C20 H20 . . 120.3 ?
C21 C20 H20 . . 120.3 ?
N1 C1 C8 . . 178.7(2) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
O1 C5 . 1.376(2) yes
O1 C9 . 1.405(2) yes
O2 C15 . 1.3961(19) yes
O2 C19 . 1.3730(19) yes
N1 C1 . 1.142(2) yes
N2 C2 . 1.139(2) yes
N3 C25 . 1.144(2) yes
N4 C26 . 1.136(2) yes
C16 C15 . 1.356(2) ?
C16 C17 . 1.416(2) ?
C16 H16 . 0.9300 ?
C18 C9 . 1.356(2) ?
C18 C17 . 1.410(2) ?
C18 H18 . 0.9300 ?
C12 C11 . 1.409(2) ?
C12 C13 . 1.413(2) ?
C12 C17 . 1.416(2) ?
C15 C14 . 1.399(2) ?
C14 C13 . 1.354(2) ?
C14 H14 . 0.9300 ?
C9 C10 . 1.396(2) ?
C4 C3 . 1.377(2) ?
C4 C5 . 1.381(2) ?
C4 H4 . 0.9300 ?
C13 H13 . 0.9300 ?
C10 C11 . 1.357(3) ?
C10 H10 . 0.9300 ?
C5 C6 . 1.376(2) ?
C11 H11 . 0.9300 ?
C24 C19 . 1.380(2) ?
C24 C23 . 1.387(2) ?
C24 H24 . 0.9300 ?
C3 C8 . 1.395(2) ?
C3 C2 . 1.432(3) ?
C8 C7 . 1.381(2) ?
C8 C1 . 1.432(3) ?
C19 C20 . 1.373(2) ?
C23 C22 . 1.393(2) ?
C23 C25 . 1.440(3) ?
C22 C21 . 1.380(2) ?
C22 C26 . 1.440(3) ?
C7 C6 . 1.382(2) ?
C7 H7 . 0.9300 ?
C6 H6 . 0.9300 ?
C21 C20 . 1.375(2) ?
C21 H21 . 0.9300 ?
C20 H20 . 0.9300 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C16 H16 N4 3_655 0.93 2.56 3.397(2) 151
C7 H7 N3 4_656 0.93 2.62 3.486(3) 155
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C9 C18 C17 C12 . . . . -0.3(2) ?
C9 C18 C17 C16 . . . . -178.12(16) ?
C11 C12 C17 C18 . . . . 3.0(2) ?
C13 C12 C17 C18 . . . . -176.83(16) ?
C11 C12 C17 C16 . . . . -179.11(15) ?
C13 C12 C17 C16 . . . . 1.1(2) ?
C15 C16 C17 C18 . . . . 176.79(17) ?
C15 C16 C17 C12 . . . . -1.0(2) ?
C17 C16 C15 O2 . . . . -174.35(15) ?
C17 C16 C15 C14 . . . . 0.1(3) ?
C19 O2 C15 C16 . . . . -35.8(3) ?
C19 O2 C15 C14 . . . . 149.36(16) ?
C16 C15 C14 C13 . . . . 0.9(3) ?
O2 C15 C14 C13 . . . . 175.78(15) ?
C17 C18 C9 C10 . . . . -3.2(3) ?
C17 C18 C9 O1 . . . . -177.79(15) ?
C5 O1 C9 C18 . . . . -127.47(18) ?
C5 O1 C9 C10 . . . . 57.8(2) ?
C15 C14 C13 C12 . . . . -0.8(3) ?
C11 C12 C13 C14 . . . . -179.95(16) ?
C17 C12 C13 C14 . . . . -0.1(3) ?
C18 C9 C10 C11 . . . . 3.9(3) ?
O1 C9 C10 C11 . . . . 178.30(16) ?
C9 O1 C5 C6 . . . . 0.3(3) ?
C9 O1 C5 C4 . . . . 179.06(16) ?
C3 C4 C5 C6 . . . . 0.3(3) ?
C3 C4 C5 O1 . . . . -178.52(16) ?
C9 C10 C11 C12 . . . . -1.0(3) ?
C13 C12 C11 C10 . . . . 177.48(17) ?
C17 C12 C11 C10 . . . . -2.4(3) ?
C5 C4 C3 C8 . . . . -0.8(3) ?
C5 C4 C3 C2 . . . . 178.58(17) ?
C4 C3 C8 C7 . . . . 0.4(3) ?
C2 C3 C8 C7 . . . . -179.00(17) ?
C4 C3 C8 C1 . . . . -177.84(17) ?
C2 C3 C8 C1 . . . . 2.8(3) ?
C15 O2 C19 C20 . . . . -41.7(2) ?
C15 O2 C19 C24 . . . . 144.79(16) ?
C23 C24 C19 O2 . . . . 171.54(15) ?
C23 C24 C19 C20 . . . . -2.1(3) ?
C19 C24 C23 C22 . . . . 0.8(2) ?
C19 C24 C23 C25 . . . . -176.66(16) ?
C24 C23 C22 C21 . . . . 1.1(3) ?
C25 C23 C22 C21 . . . . 178.54(17) ?
C24 C23 C22 C26 . . . . -176.49(16) ?
C25 C23 C22 C26 . . . . 0.9(3) ?
C3 C8 C7 C6 . . . . 0.6(3) ?
C1 C8 C7 C6 . . . . 178.75(18) ?
C4 C3 C2 N2 . . . . -16E1(10) ?
C8 C3 C2 N2 . . . . 2E1(5) ?
O1 C5 C6 C7 . . . . 179.31(17) ?
C4 C5 C6 C7 . . . . 0.7(3) ?
C8 C7 C6 C5 . . . . -1.1(3) ?
C24 C23 C25 N3 . . . . 78(6) ?
C22 C23 C25 N3 . . . . -100(6) ?
C21 C22 C26 N4 . . . . -69(13) ?
C23 C22 C26 N4 . . . . 109(13) ?
C23 C22 C21 C20 . . . . -1.8(3) ?
C26 C22 C21 C20 . . . . 175.79(17) ?
O2 C19 C20 C21 . . . . -171.75(16) ?
C24 C19 C20 C21 . . . . 1.4(3) ?
C22 C21 C20 C19 . . . . 0.6(3) ?
C7 C8 C1 N1 . . . . -160(11) ?
C3 C8 C1 N1 . . . . 18(11) ?