#------------------------------------------------------------------------------
#$Date: 2025-08-22 23:12:46 +0200 (Fri 22 de Aug de 2025) $
#$Revision: 301866 $
#$URL: svn://www.crystallography.net/cod/cif/7/23/45/7234523.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_7234523
loop_
_publ_author_name
'Shiv Kumar'
'Deepak Kumar'
'Yogesh Patil'
'Satish Patil'
_publ_section_title
;
 Fluoranthene derivatives as blue fluorescent materials for non-doped
 organic light-emitting diodes
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              193
_journal_page_last               200
_journal_paper_doi               10.1039/C5TC02926K
_journal_volume                  4
_journal_year                    2016
_chemical_formula_moiety         'C35 H21 N'
_chemical_formula_sum            'C35 H21 N'
_chemical_formula_weight         455.53
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 112.052(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.7350(16)
_cell_length_b                   17.809(2)
_cell_length_c                   10.8399(12)
_cell_measurement_reflns_used    9940
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      29.66
_cell_measurement_theta_min      3.06
_cell_volume                     2457.5(5)
_computing_cell_refinement       'Bruker saint'
_computing_data_collection       'Bruker d8quest'
_computing_data_reduction        'Bruker Saint'
_computing_molecular_graphics    ORTEP-III
_computing_publication_material  WinGx1.80.05
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    Shelxs-97
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 quest'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0585
_diffrn_reflns_av_sigmaI/netI    0.0248
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            55107
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         3.06
_exptl_absorpt_coefficient_mu    0.071
_exptl_absorpt_correction_T_max  0.9770
_exptl_absorpt_correction_T_min  0.9521
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.231
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             952
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.33
_refine_diff_density_max         0.292
_refine_diff_density_min         -0.219
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4315
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0807
_refine_ls_R_factor_gt           0.0600
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0883P)²+2.0947P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1688
_refine_ls_wR_factor_ref         0.2027
_reflns_number_gt                3275
_reflns_number_total             4315
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            J-Mater-Chem-C-2016-4-193.cif
_cod_data_source_block           tpfcn
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7234523
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'
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 0.4169(2) 0.17897(15) 0.7137(3) 0.0415(6) Uani 1 1 d . . .
C2 C 0.37736(19) 0.11299(14) 0.7498(2) 0.0404(6) Uani 1 1 d . . .
C3 C 0.4142(2) 0.04494(16) 0.7259(3) 0.0500(7) Uani 1 1 d . . .
H3 H 0.3878 0.0002 0.7450 0.060 Uiso 1 1 calc R . .
C4 C 0.4931(2) 0.04428(18) 0.6716(3) 0.0578(8) Uani 1 1 d . . .
H4 H 0.5187 -0.0017 0.6566 0.069 Uiso 1 1 calc R . .
C5 C 0.5332(2) 0.10853(19) 0.6402(3) 0.0592(8) Uani 1 1 d . . .
H5 H 0.5858 0.1056 0.6059 0.071 Uiso 1 1 calc R . .
C6 C 0.4948(2) 0.17931(16) 0.6598(3) 0.0491(7) Uani 1 1 d . . .
C7 C 0.5230(2) 0.25053(18) 0.6255(3) 0.0622(9) Uani 1 1 d . . .
H7 H 0.5757 0.2544 0.5915 0.075 Uiso 1 1 calc R . .
C8 C 0.4727(3) 0.31340(19) 0.6424(4) 0.0664(9) Uani 1 1 d . . .
H8 H 0.4927 0.3596 0.6197 0.080 Uiso 1 1 calc R . .
C9 C 0.3919(2) 0.31166(17) 0.6928(3) 0.0537(7) Uani 1 1 d . . .
H9 H 0.3579 0.3556 0.7004 0.064 Uiso 1 1 calc R . .
C10 C 0.3643(2) 0.24398(14) 0.7305(3) 0.0409(6) Uani 1 1 d . . .
C11 C 0.28483(18) 0.21724(14) 0.7826(2) 0.0360(6) Uani 1 1 d . . .
C12 C 0.29448(18) 0.13791(14) 0.7971(2) 0.0367(6) Uani 1 1 d . . .
C13 C 0.22832(19) 0.09730(14) 0.8438(2) 0.0383(6) Uani 1 1 d . . .
C14 C 0.1503(2) 0.13693(14) 0.8684(3) 0.0411(6) Uani 1 1 d . . .
H14 H 0.1044 0.1104 0.8971 0.049 Uiso 1 1 calc R . .
C15 C 0.13732(19) 0.21454(14) 0.8521(2) 0.0381(6) Uani 1 1 d . . .
C16 C 0.20689(19) 0.25606(14) 0.8104(2) 0.0358(6) Uani 1 1 d . . .
C17 C 0.1945(2) 0.33891(14) 0.7883(3) 0.0391(6) Uani 1 1 d . . .
C18 C 0.1124(2) 0.36705(17) 0.6810(3) 0.0536(7) Uani 1 1 d . . .
H18 H 0.0638 0.3345 0.6227 0.064 Uiso 1 1 calc R . .
C19 C 0.1021(3) 0.4436(2) 0.6597(4) 0.0786(11) Uani 1 1 d . . .
H19 H 0.0472 0.4622 0.5860 0.094 Uiso 1 1 calc R . .
C20 C 0.1721(3) 0.49261(19) 0.7463(4) 0.0803(11) Uani 1 1 d . . .
H20 H 0.1646 0.5441 0.7311 0.096 Uiso 1 1 calc R . .
C21 C 0.2530(3) 0.46525(18) 0.8548(4) 0.0704(10) Uani 1 1 d . . .
H21 H 0.2999 0.4981 0.9147 0.085 Uiso 1 1 calc R . .
C22 C 0.2644(2) 0.38911(17) 0.8748(3) 0.0575(8) Uani 1 1 d . . .
H22 H 0.3201 0.3708 0.9479 0.069 Uiso 1 1 calc R . .
C23 C 0.2401(2) 0.01553(14) 0.8743(2) 0.0392(6) Uani 1 1 d . . .
C24 C 0.1548(2) -0.03242(16) 0.8223(3) 0.0541(7) Uani 1 1 d . . .
H24 H 0.0909 -0.0137 0.7641 0.065 Uiso 1 1 calc R . .
C25 C 0.1636(3) -0.10760(17) 0.8560(4) 0.0655(9) Uani 1 1 d . . .
H25 H 0.1057 -0.1390 0.8210 0.079 Uiso 1 1 calc R . .
C26 C 0.2580(3) -0.13599(17) 0.9410(4) 0.0614(8) Uani 1 1 d . . .
H26 H 0.2641 -0.1867 0.9629 0.074 Uiso 1 1 calc R . .
C27 C 0.3433(3) -0.08936(16) 0.9936(3) 0.0542(7) Uani 1 1 d . . .
H27 H 0.4071 -0.1085 1.0513 0.065 Uiso 1 1 calc R . .
C28 C 0.3343(2) -0.01423(15) 0.9608(3) 0.0487(7) Uani 1 1 d . . .
H28 H 0.3924 0.0170 0.9973 0.058 Uiso 1 1 calc R . .
C29 C 0.0499(2) 0.24882(14) 0.8818(3) 0.0400(6) Uani 1 1 d . . .
C30 C -0.0488(2) 0.21580(15) 0.8316(3) 0.0455(6) Uani 1 1 d . . .
H30 H -0.0598 0.1743 0.7759 0.055 Uiso 1 1 calc R . .
C31 C -0.1309(2) 0.24293(16) 0.8620(3) 0.0519(7) Uani 1 1 d . . .
H31 H -0.1963 0.2198 0.8276 0.062 Uiso 1 1 calc R . .
C32 C -0.1154(2) 0.30516(17) 0.9445(3) 0.0528(7) Uani 1 1 d . . .
C33 C -0.0174(2) 0.33892(17) 0.9958(3) 0.0528(7) Uani 1 1 d . . .
H33 H -0.0069 0.3804 1.0514 0.063 Uiso 1 1 calc R . .
C34 C 0.0643(2) 0.31146(15) 0.9651(3) 0.0466(7) Uani 1 1 d . . .
H34 H 0.1296 0.3346 0.9999 0.056 Uiso 1 1 calc R . .
C35 C -0.2014(3) 0.33441(19) 0.9760(4) 0.0707(10) Uani 1 1 d . . .
N36 N -0.2685(3) 0.3565(2) 1.0026(5) 0.1044(13) 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'
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
C6 C1 C2 123.7(3) . .
C6 C1 C10 124.0(2) . .
C2 C1 C10 112.3(2) . .
C3 C2 C1 118.3(2) . .
C3 C2 C12 135.6(2) . .
C1 C2 C12 105.8(2) . .
C2 C3 C4 118.7(3) . .
C2 C3 H3 120.7 . .
C4 C3 H3 120.7 . .
C5 C4 C3 122.7(3) . .
C5 C4 H4 118.7 . .
C3 C4 H4 118.7 . .
C4 C5 C6 120.1(3) . .
C4 C5 H5 120.0 . .
C6 C5 H5 120.0 . .
C1 C6 C5 116.5(3) . .
C1 C6 C7 116.2(3) . .
C5 C6 C7 127.3(3) . .
C8 C7 C6 119.8(3) . .
C8 C7 H7 120.1 . .
C6 C7 H7 120.1 . .
C7 C8 C9 123.1(3) . .
C7 C8 H8 118.4 . .
C9 C8 H8 118.4 . .
C10 C9 C8 118.7(3) . .
C10 C9 H9 120.6 . .
C8 C9 H9 120.6 . .
C9 C10 C1 118.1(3) . .
C9 C10 C11 136.1(3) . .
C1 C10 C11 105.7(2) . .
C16 C11 C12 120.9(2) . .
C16 C11 C10 130.9(2) . .
C12 C11 C10 108.0(2) . .
C13 C12 C11 120.5(2) . .
C13 C12 C2 131.3(2) . .
C11 C12 C2 108.1(2) . .
C14 C13 C12 117.4(2) . .
C14 C13 C23 118.8(2) . .
C12 C13 C23 123.8(2) . .
C13 C14 C15 123.3(2) . .
C13 C14 H14 118.3 . .
C15 C14 H14 118.3 . .
C14 C15 C16 119.4(2) . .
C14 C15 C29 117.0(2) . .
C16 C15 C29 123.6(2) . .
C11 C16 C15 118.4(2) . .
C11 C16 C17 120.3(2) . .
C15 C16 C17 121.3(2) . .
C18 C17 C22 118.5(3) . .
C18 C17 C16 120.2(2) . .
C22 C17 C16 121.3(2) . .
C17 C18 C19 120.1(3) . .
C17 C18 H18 120.0 . .
C19 C18 H18 120.0 . .
C20 C19 C18 120.8(3) . .
C20 C19 H19 119.6 . .
C18 C19 H19 119.6 . .
C21 C20 C19 119.6(3) . .
C21 C20 H20 120.2 . .
C19 C20 H20 120.2 . .
C20 C21 C22 119.7(3) . .
C20 C21 H21 120.2 . .
C22 C21 H21 120.2 . .
C21 C22 C17 121.4(3) . .
C21 C22 H22 119.3 . .
C17 C22 H22 119.3 . .
C24 C23 C28 118.1(2) . .
C24 C23 C13 120.5(2) . .
C28 C23 C13 121.3(2) . .
C25 C24 C23 120.9(3) . .
C25 C24 H24 119.6 . .
C23 C24 H24 119.6 . .
C26 C25 C24 120.1(3) . .
C26 C25 H25 120.0 . .
C24 C25 H25 120.0 . .
C27 C26 C25 119.9(3) . .
C27 C26 H26 120.0 . .
C25 C26 H26 120.0 . .
C26 C27 C28 120.1(3) . .
C26 C27 H27 120.0 . .
C28 C27 H27 120.0 . .
C27 C28 C23 121.0(3) . .
C27 C28 H28 119.5 . .
C23 C28 H28 119.5 . .
C30 C29 C34 118.0(2) . .
C30 C29 C15 119.4(2) . .
C34 C29 C15 122.5(2) . .
C31 C30 C29 121.7(3) . .
C31 C30 H30 119.2 . .
C29 C30 H30 119.2 . .
C30 C31 C32 119.6(3) . .
C30 C31 H31 120.2 . .
C32 C31 H31 120.2 . .
C33 C32 C31 119.7(3) . .
C33 C32 C35 120.4(3) . .
C31 C32 C35 119.9(3) . .
C34 C33 C32 120.4(3) . .
C34 C33 H33 119.8 . .
C32 C33 H33 119.8 . .
C33 C34 C29 120.6(3) . .
C33 C34 H34 119.7 . .
C29 C34 H34 119.7 . .
N36 C35 C32 178.8(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.399(4) .
C1 C2 1.410(4) .
C1 C10 1.412(4) .
C2 C3 1.375(4) .
C2 C12 1.482(3) .
C3 C4 1.413(4) .
C3 H3 0.9300 .
C4 C5 1.367(4) .
C4 H4 0.9300 .
C5 C6 1.413(4) .
C5 H5 0.9300 .
C6 C7 1.416(4) .
C7 C8 1.364(5) .
C7 H7 0.9300 .
C8 C9 1.410(4) .
C8 H8 0.9300 .
C9 C10 1.371(4) .
C9 H9 0.9300 .
C10 C11 1.484(3) .
C11 C16 1.399(3) .
C11 C12 1.422(3) .
C12 C13 1.397(3) .
C13 C14 1.390(3) .
C13 C23 1.488(3) .
C14 C15 1.396(4) .
C14 H14 0.9300 .
C15 C16 1.410(3) .
C15 C29 1.486(3) .
C16 C17 1.494(3) .
C17 C18 1.375(4) .
C17 C22 1.387(4) .
C18 C19 1.381(5) .
C18 H18 0.9300 .
C19 C20 1.374(6) .
C19 H19 0.9300 .
C20 C21 1.369(5) .
C20 H20 0.9300 .
C21 C22 1.373(4) .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 C24 1.387(4) .
C23 C28 1.388(4) .
C24 C25 1.381(4) .
C24 H24 0.9300 .
C25 C26 1.374(5) .
C25 H25 0.9300 .
C26 C27 1.373(4) .
C26 H26 0.9300 .
C27 C28 1.378(4) .
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 C30 1.388(4) .
C29 C34 1.402(4) .
C30 C31 1.375(4) .
C30 H30 0.9300 .
C31 C32 1.389(4) .
C31 H31 0.9300 .
C32 C33 1.386(4) .
C32 C35 1.443(4) .
C33 C34 1.375(4) .
C33 H33 0.9300 .
C34 H34 0.9300 .
C35 N36 1.135(4) .
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
C6 C1 C2 C3 -2.7(4) . . . .
C10 C1 C2 C3 173.6(2) . . . .
C6 C1 C2 C12 -178.0(2) . . . .
C10 C1 C2 C12 -1.6(3) . . . .
C1 C2 C3 C4 2.7(4) . . . .
C12 C2 C3 C4 176.1(3) . . . .
C2 C3 C4 C5 -0.9(5) . . . .
C3 C4 C5 C6 -1.0(5) . . . .
C2 C1 C6 C5 0.9(4) . . . .
C10 C1 C6 C5 -175.1(3) . . . .
C2 C1 C6 C7 178.2(3) . . . .
C10 C1 C6 C7 2.2(4) . . . .
C4 C5 C6 C1 1.0(4) . . . .
C4 C5 C6 C7 -176.0(3) . . . .
C1 C6 C7 C8 -1.7(5) . . . .
C5 C6 C7 C8 175.2(3) . . . .
C6 C7 C8 C9 -0.3(5) . . . .
C7 C8 C9 C10 2.0(5) . . . .
C8 C9 C10 C1 -1.5(4) . . . .
C8 C9 C10 C11 -177.8(3) . . . .
C6 C1 C10 C9 -0.6(4) . . . .
C2 C1 C10 C9 -176.9(3) . . . .
C6 C1 C10 C11 176.7(2) . . . .
C2 C1 C10 C11 0.4(3) . . . .
C9 C10 C11 C16 0.7(5) . . . .
C1 C10 C11 C16 -175.9(2) . . . .
C9 C10 C11 C12 177.7(3) . . . .
C1 C10 C11 C12 1.1(3) . . . .
C16 C11 C12 C13 -2.1(4) . . . .
C10 C11 C12 C13 -179.5(2) . . . .
C16 C11 C12 C2 175.3(2) . . . .
C10 C11 C12 C2 -2.1(3) . . . .
C3 C2 C12 C13 5.3(5) . . . .
C1 C2 C12 C13 179.3(3) . . . .
C3 C2 C12 C11 -171.8(3) . . . .
C1 C2 C12 C11 2.3(3) . . . .
C11 C12 C13 C14 3.3(4) . . . .
C2 C12 C13 C14 -173.5(2) . . . .
C11 C12 C13 C23 -173.8(2) . . . .
C2 C12 C13 C23 9.5(4) . . . .
C12 C13 C14 C15 -1.8(4) . . . .
C23 C13 C14 C15 175.4(2) . . . .
C13 C14 C15 C16 -0.9(4) . . . .
C13 C14 C15 C29 179.8(2) . . . .
C12 C11 C16 C15 -0.6(3) . . . .
C10 C11 C16 C15 176.1(2) . . . .
C12 C11 C16 C17 -177.0(2) . . . .
C10 C11 C16 C17 -0.4(4) . . . .
C14 C15 C16 C11 2.1(3) . . . .
C29 C15 C16 C11 -178.6(2) . . . .
C14 C15 C16 C17 178.4(2) . . . .
C29 C15 C16 C17 -2.2(4) . . . .
C11 C16 C17 C18 105.1(3) . . . .
C15 C16 C17 C18 -71.2(3) . . . .
C11 C16 C17 C22 -75.2(3) . . . .
C15 C16 C17 C22 108.5(3) . . . .
C22 C17 C18 C19 1.3(4) . . . .
C16 C17 C18 C19 -179.0(3) . . . .
C17 C18 C19 C20 -1.2(5) . . . .
C18 C19 C20 C21 0.0(6) . . . .
C19 C20 C21 C22 1.1(6) . . . .
C20 C21 C22 C17 -1.1(5) . . . .
C18 C17 C22 C21 -0.2(5) . . . .
C16 C17 C22 C21 -179.9(3) . . . .
C14 C13 C23 C24 53.5(4) . . . .
C12 C13 C23 C24 -129.4(3) . . . .
C14 C13 C23 C28 -122.7(3) . . . .
C12 C13 C23 C28 54.3(4) . . . .
C28 C23 C24 C25 0.0(4) . . . .
C13 C23 C24 C25 -176.4(3) . . . .
C23 C24 C25 C26 -0.6(5) . . . .
C24 C25 C26 C27 0.6(5) . . . .
C25 C26 C27 C28 -0.2(5) . . . .
C26 C27 C28 C23 -0.4(5) . . . .
C24 C23 C28 C27 0.4(4) . . . .
C13 C23 C28 C27 176.8(3) . . . .
C14 C15 C29 C30 -46.6(3) . . . .
C16 C15 C29 C30 134.1(3) . . . .
C14 C15 C29 C34 129.9(3) . . . .
C16 C15 C29 C34 -49.4(4) . . . .
C34 C29 C30 C31 -0.2(4) . . . .
C15 C29 C30 C31 176.5(2) . . . .
C29 C30 C31 C32 0.3(4) . . . .
C30 C31 C32 C33 -0.4(5) . . . .
C30 C31 C32 C35 179.4(3) . . . .
C31 C32 C33 C34 0.3(5) . . . .
C35 C32 C33 C34 -179.5(3) . . . .
C32 C33 C34 C29 -0.2(4) . . . .
C30 C29 C34 C33 0.1(4) . . . .
C15 C29 C34 C33 -176.4(2) . . . .
C33 C32 C35 N36 -94(22) . . . .
C31 C32 C35 N36 87(22) . . . .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 101466151
