#------------------------------------------------------------------------------
#$Date: 2022-05-05 23:49:25 +0300 (Thu, 05 May 2022) $
#$Revision: 275043 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/13/7061317.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7061317
loop_
_publ_author_name
'Yadav, Priyanka'
'Verma, Abhineet'
'Sharma, Vishal Prasad'
'Singh, Rashmi'
'Yadav, Tarun'
'Kumar, Ranjeet'
'Pal, Shiv'
'Gupta, Hariom'
'Saha, Satyen'
'Tewari, Ashish K.'
_publ_section_title
;
 The development of a robust folded scaffold as a fluorescent material
 using butylidine-linked pyridazinone-based systems via aromatic
 π⋯π stacking interactions
;
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              5830
_journal_page_last               5838
_journal_paper_doi               10.1039/D2NJ00083K
_journal_volume                  46
_journal_year                    2022
_chemical_formula_moiety         'C38 H26 N6 O2'
_chemical_formula_sum            'C38 H26 N6 O2'
_chemical_formula_weight         598.65
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2020-03-19 deposited with the CCDC.	2022-02-21 downloaded from the CCDC.
;
_cell_angle_alpha                78.388(4)
_cell_angle_beta                 66.796(3)
_cell_angle_gamma                69.702(3)
_cell_formula_units_Z            2
_cell_length_a                   11.6727(17)
_cell_length_b                   11.7539(16)
_cell_length_c                   13.2143(18)
_cell_measurement_reflns_used    9455
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.66
_cell_measurement_theta_min      2.28
_cell_volume                     1558.5(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0588
_diffrn_reflns_av_unetI/netI     0.0486
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            33833
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.246
_diffrn_reflns_theta_min         2.279
_exptl_absorpt_coefficient_mu    0.082
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS 2016/2: Krause, L., Herbst-Irmer, R.,Sheldrick G.M. & Stalke D., J. Apples. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            'PALE - YELLOW'
_exptl_crystal_density_diffrn    1.276
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   0.7457
_exptl_transmission_factor_min   0.7090
_refine_diff_density_max         0.186
_refine_diff_density_min         -0.195
_refine_diff_density_rms         0.040
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         5622
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0895
_refine_ls_R_factor_gt           0.0510
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0499P)²+0.3096P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1032
_refine_ls_wR_factor_ref         0.1128
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3840
_reflns_number_total             5622
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2nj00083k2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7061317--7061318.cif.
;
_cod_database_code               7061317
_shelx_shelxl_version_number     2018/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C6 C 0.17853(18) 0.27789(17) 0.48879(15) 0.0268(5) Uani 1 1 d . . . . .
C4 C 0.14972(18) 0.48801(18) 0.40400(16) 0.0280(5) Uani 1 1 d . . . . .
C14 C 0.15974(19) 0.15649(17) 0.50375(16) 0.0275(5) Uani 1 1 d . . . . .
C25 C 0.31100(18) 0.70795(16) 0.13475(15) 0.0265(5) Uani 1 1 d . . . . .
C22 C 0.39170(19) 0.46330(18) 0.20706(16) 0.0309(5) Uani 1 1 d . . . . .
C26 C 0.2631(2) 0.84170(17) 0.11187(15) 0.0283(5) Uani 1 1 d . . . . .
C5 C 0.14050(18) 0.36609(17) 0.41506(15) 0.0271(5) Uani 1 1 d . . . . .
C32 C 0.25223(19) 0.65223(17) -0.01300(16) 0.0296(5) Uani 1 1 d . . . . .
C24 C 0.30233(18) 0.61853(17) 0.07931(15) 0.0281(5) Uani 1 1 d . . . . .
C7 C 0.23592(19) 0.30819(17) 0.55449(15) 0.0282(5) Uani 1 1 d . . . . .
C15 C 0.08210(19) 0.11727(17) 0.60540(16) 0.0316(5) Uani 1 1 d . . . . .
H15 H 0.040994 0.167738 0.663387 0.038 Uiso 1 1 calc R U . . .
C2 C 0.3724(2) 0.60935(16) 0.42706(16) 0.0298(5) Uani 1 1 d . . . . .
C20 C 0.0851(2) 0.34708(18) 0.34256(17) 0.0325(5) Uani 1 1 d . . . . .
C33 C 0.30143(19) 0.72807(17) -0.10290(16) 0.0324(5) Uani 1 1 d . . . . .
H33 H 0.363622 0.761262 -0.104029 0.039 Uiso 1 1 calc R U . . .
C23 C 0.34594(19) 0.49956(17) 0.11499(16) 0.0298(5) Uani 1 1 d . . . . .
C21 C 0.4610(2) 0.53618(18) 0.33041(16) 0.0343(5) Uani 1 1 d . . . . .
H21B H 0.542978 0.555629 0.299846 0.041 Uiso 1 1 calc R U . . .
H21A H 0.479489 0.450502 0.355335 0.041 Uiso 1 1 calc R U . . .
C31 C 0.1440(2) 0.89775(18) 0.09864(16) 0.0351(5) Uani 1 1 d . . . . .
H31 H 0.093871 0.850997 0.098845 0.042 Uiso 1 1 calc R U . . .
C19 C 0.2212(2) 0.08065(18) 0.41734(17) 0.0349(5) Uani 1 1 d . . . . .
H19 H 0.272165 0.106899 0.348492 0.042 Uiso 1 1 calc R U . . .
C8 C 0.2875(2) 0.22162(18) 0.63651(16) 0.0336(5) Uani 1 1 d . . . . .
C27 C 0.3371(2) 0.91294(18) 0.11069(16) 0.0350(5) Uani 1 1 d . . . . .
H27 H 0.417946 0.876149 0.118574 0.042 Uiso 1 1 calc R U . . .
C3 C 0.23059(19) 0.61856(17) 0.46849(17) 0.0338(5) Uani 1 1 d . . . . .
H3A H 0.189531 0.647498 0.541952 0.041 Uiso 1 1 calc R U . . .
H3B H 0.189810 0.678163 0.420852 0.041 Uiso 1 1 calc R U . . .
C38 C 0.3514(2) 0.40024(19) 0.06331(17) 0.0373(5) Uani 1 1 d . . . . .
C37 C 0.1581(2) 0.60509(18) -0.01211(18) 0.0390(5) Uani 1 1 d . . . . .
H37 H 0.123469 0.555161 0.048164 0.047 Uiso 1 1 calc R U . . .
C1 C 0.4172(2) 0.66453(18) 0.47397(18) 0.0399(5) Uani 1 1 d . . . . .
H1B H 0.505593 0.658305 0.446928 0.048 Uiso 1 1 calc R U . . .
H1A H 0.360504 0.709765 0.534179 0.048 Uiso 1 1 calc R U . . .
C13 C 0.3607(2) 0.10197(19) 0.61568(18) 0.0382(5) Uani 1 1 d . . . . .
H13 H 0.375389 0.072754 0.549893 0.046 Uiso 1 1 calc R U . . .
C16 C 0.0657(2) 0.00395(18) 0.62077(18) 0.0402(6) Uani 1 1 d . . . . .
H16 H 0.012428 -0.021808 0.688672 0.048 Uiso 1 1 calc R U . . .
C30 C 0.0988(2) 1.02355(19) 0.08504(17) 0.0437(6) Uani 1 1 d . . . . .
H30 H 0.018873 1.061061 0.075597 0.052 Uiso 1 1 calc R U . . .
C34 C 0.2580(2) 0.75426(19) -0.19072(17) 0.0391(5) Uani 1 1 d . . . . .
H34 H 0.291321 0.804941 -0.250902 0.047 Uiso 1 1 calc R U . . .
C29 C 0.1726(3) 1.0929(2) 0.08553(17) 0.0463(6) Uani 1 1 d . . . . .
H29 H 0.141760 1.177292 0.077439 0.056 Uiso 1 1 calc R U . . .
C35 C 0.1660(2) 0.7059(2) -0.18967(19) 0.0448(6) Uani 1 1 d . . . . .
H35 H 0.137809 0.723188 -0.249331 0.054 Uiso 1 1 calc R U . . .
C18 C 0.2060(2) -0.03384(19) 0.43442(19) 0.0436(6) Uani 1 1 d . . . . .
H18 H 0.248455 -0.085739 0.377487 0.052 Uiso 1 1 calc R U . . .
C28 C 0.2909(2) 1.03796(19) 0.09787(17) 0.0437(6) Uani 1 1 d . . . . .
H28 H 0.340593 1.085169 0.097615 0.052 Uiso 1 1 calc R U . . .
C36 C 0.1157(2) 0.6320(2) -0.1004(2) 0.0459(6) Uani 1 1 d . . . . .
H36 H 0.052702 0.600027 -0.099384 0.055 Uiso 1 1 calc R U . . .
C17 C 0.1282(2) -0.07109(19) 0.5355(2) 0.0461(6) Uani 1 1 d . . . . .
H17 H 0.117699 -0.148057 0.546343 0.055 Uiso 1 1 calc R U . . .
C9 C 0.2679(3) 0.2634(2) 0.73477(18) 0.0492(6) Uani 1 1 d . . . . .
H9 H 0.219236 0.343403 0.750269 0.059 Uiso 1 1 calc R U . . .
C12 C 0.4120(2) 0.0257(2) 0.69145(19) 0.0482(6) Uani 1 1 d . . . . .
H12 H 0.460705 -0.054524 0.676731 0.058 Uiso 1 1 calc R U . . .
C11 C 0.3912(3) 0.0682(3) 0.7885(2) 0.0597(7) Uani 1 1 d . . . . .
H11 H 0.425169 0.016753 0.839824 0.072 Uiso 1 1 calc R U . . .
C10 C 0.3203(3) 0.1864(3) 0.8095(2) 0.0640(8) Uani 1 1 d . . . . .
H10 H 0.307349 0.215271 0.874976 0.077 Uiso 1 1 calc R U . . .
O1 O 0.11117(13) 0.57142(12) 0.34184(11) 0.0355(4) Uani 1 1 d . . . . .
O2 O 0.41568(13) 0.35914(12) 0.25039(12) 0.0382(4) Uani 1 1 d . . . . .
N4 N 0.40594(15) 0.55796(14) 0.24321(13) 0.0288(4) Uani 1 1 d . . . . .
N2 N 0.25029(16) 0.41605(15) 0.54420(13) 0.0303(4) Uani 1 1 d . . . . .
N6 N 0.36402(15) 0.67616(14) 0.21058(13) 0.0297(4) Uani 1 1 d . . . . .
N1 N 0.20695(15) 0.50261(14) 0.47269(13) 0.0294(4) Uani 1 1 d . . . . .
N3 N 0.04150(19) 0.33473(18) 0.28330(17) 0.0509(5) Uani 1 1 d . . . . .
N7 N 0.3604(2) 0.31903(17) 0.02228(16) 0.0541(6) Uani 1 1 d . . . . .
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C5 C6 C7 116.97(17) . . ?
C5 C6 C14 121.99(17) . . ?
C7 C6 C14 121.03(17) . . ?
O1 C4 N1 122.19(17) . . ?
O1 C4 C5 124.91(18) . . ?
N1 C4 C5 112.89(17) . . ?
C15 C14 C19 119.72(18) . . ?
C15 C14 C6 119.65(16) . . ?
C19 C14 C6 120.62(17) . . ?
N6 C25 C24 121.67(17) . . ?
N6 C25 C26 113.76(16) . . ?
C24 C25 C26 124.56(17) . . ?
O2 C22 N4 122.25(19) . . ?
O2 C22 C23 124.43(18) . . ?
N4 C22 C23 113.32(17) . . ?
C31 C26 C27 119.16(18) . . ?
C31 C26 C25 122.06(18) . . ?
C27 C26 C25 118.65(18) . . ?
C6 C5 C20 122.69(17) . . ?
C6 C5 C4 123.08(17) . . ?
C20 C5 C4 114.22(17) . . ?
C37 C32 C33 119.14(19) . . ?
C37 C32 C24 120.17(18) . . ?
C33 C32 C24 120.66(17) . . ?
C23 C24 C25 116.34(18) . . ?
C23 C24 C32 121.11(17) . . ?
C25 C24 C32 122.54(17) . . ?
N2 C7 C6 121.80(18) . . ?
N2 C7 C8 113.81(16) . . ?
C6 C7 C8 124.37(17) . . ?
C16 C15 C14 120.16(19) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C1 C2 C21 121.21(19) . . ?
C1 C2 C3 121.06(19) . . ?
C21 C2 C3 117.73(17) . . ?
N3 C20 C5 178.2(2) . . ?
C34 C33 C32 120.00(19) . . ?
C34 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C24 C23 C38 122.71(19) . . ?
C24 C23 C22 122.70(17) . . ?
C38 C23 C22 114.59(17) . . ?
N4 C21 C2 113.06(16) . . ?
N4 C21 H21B 109.0 . . ?
C2 C21 H21B 109.0 . . ?
N4 C21 H21A 109.0 . . ?
C2 C21 H21A 109.0 . . ?
H21B C21 H21A 107.8 . . ?
C26 C31 C30 120.2(2) . . ?
C26 C31 H31 119.9 . . ?
C30 C31 H31 119.9 . . ?
C18 C19 C14 119.6(2) . . ?
C18 C19 H19 120.2 . . ?
C14 C19 H19 120.2 . . ?
C13 C8 C9 118.5(2) . . ?
C13 C8 C7 122.24(18) . . ?
C9 C8 C7 119.12(19) . . ?
C28 C27 C26 120.2(2) . . ?
C28 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
N1 C3 C2 113.26(15) . . ?
N1 C3 H3A 108.9 . . ?
C2 C3 H3A 108.9 . . ?
N1 C3 H3B 108.9 . . ?
C2 C3 H3B 108.9 . . ?
H3A C3 H3B 107.7 . . ?
N7 C38 C23 177.4(2) . . ?
C36 C37 C32 120.2(2) . . ?
C36 C37 H37 119.9 . . ?
C32 C37 H37 119.9 . . ?
C2 C1 H1B 120.0 . . ?
C2 C1 H1A 120.0 . . ?
H1B C1 H1A 120.0 . . ?
C12 C13 C8 120.7(2) . . ?
C12 C13 H13 119.6 . . ?
C8 C13 H13 119.6 . . ?
C17 C16 C15 119.8(2) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C29 C30 C31 119.9(2) . . ?
C29 C30 H30 120.0 . . ?
C31 C30 H30 120.0 . . ?
C35 C34 C33 120.4(2) . . ?
C35 C34 H34 119.8 . . ?
C33 C34 H34 119.8 . . ?
C28 C29 C30 120.2(2) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 H29 119.9 . . ?
C34 C35 C36 119.9(2) . . ?
C34 C35 H35 120.1 . . ?
C36 C35 H35 120.1 . . ?
C17 C18 C19 120.0(2) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C29 C28 C27 120.4(2) . . ?
C29 C28 H28 119.8 . . ?
C27 C28 H28 119.8 . . ?
C35 C36 C37 120.3(2) . . ?
C35 C36 H36 119.8 . . ?
C37 C36 H36 119.8 . . ?
C18 C17 C16 120.8(2) . . ?
C18 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
C10 C9 C8 120.2(2) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C11 C12 C13 120.0(2) . . ?
C11 C12 H12 120.0 . . ?
C13 C12 H12 120.0 . . ?
C10 C11 C12 119.9(2) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C11 C10 C9 120.7(2) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
N6 N4 C22 125.13(16) . . ?
N6 N4 C21 113.91(15) . . ?
C22 N4 C21 120.78(16) . . ?
C7 N2 N1 119.39(16) . . ?
C25 N6 N4 120.01(16) . . ?
N2 N1 C4 125.78(15) . . ?
N2 N1 C3 113.71(15) . . ?
C4 N1 C3 120.46(16) . . ?
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
C6 C5 1.355(3) . ?
C6 C7 1.441(3) . ?
C6 C14 1.481(3) . ?
C4 O1 1.225(2) . ?
C4 N1 1.386(2) . ?
C4 C5 1.448(3) . ?
C14 C15 1.385(3) . ?
C14 C19 1.391(3) . ?
C25 N6 1.305(2) . ?
C25 C24 1.447(3) . ?
C25 C26 1.486(3) . ?
C22 O2 1.229(2) . ?
C22 N4 1.378(2) . ?
C22 C23 1.447(3) . ?
C26 C31 1.381(3) . ?
C26 C27 1.391(3) . ?
C5 C20 1.436(3) . ?
C32 C37 1.387(3) . ?
C32 C33 1.388(3) . ?
C32 C24 1.481(3) . ?
C24 C23 1.366(3) . ?
C7 N2 1.309(2) . ?
C7 C8 1.489(3) . ?
C15 C16 1.375(3) . ?
C15 H15 0.9300 . ?
C2 C1 1.316(3) . ?
C2 C21 1.492(3) . ?
C2 C3 1.496(3) . ?
C20 N3 1.142(2) . ?
C33 C34 1.382(3) . ?
C33 H33 0.9300 . ?
C23 C38 1.438(3) . ?
C21 N4 1.469(2) . ?
C21 H21B 0.9700 . ?
C21 H21A 0.9700 . ?
C31 C30 1.387(3) . ?
C31 H31 0.9300 . ?
C19 C18 1.380(3) . ?
C19 H19 0.9300 . ?
C8 C13 1.386(3) . ?
C8 C9 1.387(3) . ?
C27 C28 1.379(3) . ?
C27 H27 0.9300 . ?
C3 N1 1.468(2) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C38 N7 1.144(2) . ?
C37 C36 1.379(3) . ?
C37 H37 0.9300 . ?
C1 H1B 0.9300 . ?
C1 H1A 0.9300 . ?
C13 C12 1.380(3) . ?
C13 H13 0.9300 . ?
C16 C17 1.373(3) . ?
C16 H16 0.9300 . ?
C30 C29 1.378(3) . ?
C30 H30 0.9300 . ?
C34 C35 1.373(3) . ?
C34 H34 0.9300 . ?
C29 C28 1.367(3) . ?
C29 H29 0.9300 . ?
C35 C36 1.374(3) . ?
C35 H35 0.9300 . ?
C18 C17 1.373(3) . ?
C18 H18 0.9300 . ?
C28 H28 0.9300 . ?
C36 H36 0.9300 . ?
C17 H17 0.9300 . ?
C9 C10 1.379(3) . ?
C9 H9 0.9300 . ?
C12 C11 1.371(3) . ?
C12 H12 0.9300 . ?
C11 C10 1.367(4) . ?
C11 H11 0.9300 . ?
C10 H10 0.9300 . ?
N4 N6 1.345(2) . ?
N2 N1 1.348(2) . ?
