#------------------------------------------------------------------------------
#$Date: 2025-08-21 16:10:22 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301849 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/46/7034606.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_7034606
loop_
_publ_author_name
'Kalden, Diana'
'Krieck, Sven'
'Görls, Helmar'
'Westerhausen, Matthias'
_publ_section_title
;
 1,3-Bis(2,4,6-trimethylphenyl)triazenides of potassium, magnesium,
 calcium, and strontium.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8089
_journal_page_last               8099
_journal_paper_doi               10.1039/c5dt00595g
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C44 H64 K2 N6 O4'
_chemical_formula_sum            'C44 H64 K2 N6 O4'
_chemical_formula_weight         819.21
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-02-09 deposited with the CCDC.
2015-03-25 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 102.744(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.4235(2)
_cell_length_b                   12.6648(2)
_cell_length_c                   17.7569(3)
_cell_measurement_temperature    133(2)
_cell_volume                     2286.37(7)
_computing_cell_refinement       DENZO
_computing_data_collection       COLLECT
_computing_data_reduction        DENZO
_computing_molecular_graphics    SHELXTL/PC
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi- + omega-scan'
_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  0.0194
_diffrn_reflns_av_sigmaI/netI    0.0184
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            17898
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.57
_exptl_absorpt_coefficient_mu    0.253
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.7121
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker-AXS, 2002'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.190
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             880
_exptl_crystal_size_max          0.044
_exptl_crystal_size_mid          0.042
_exptl_crystal_size_min          0.032
_refine_diff_density_max         0.309
_refine_diff_density_min         -0.255
_refine_diff_density_rms         0.041
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         5225
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0346
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0446P)²+1.0622P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0899
_refine_ls_wR_factor_ref         0.0930
_reflns_number_gt                4786
_reflns_number_total             5225
_reflns_threshold_expression     >2sigma(I)
_publcif_datablock.id            {c0b718f7-15f4-45a7-ae33-367f0b66acf4}
_cod_data_source_file            c5dt00595g1.cif
_cod_data_source_block           FO5594
_cod_depositor_comments
'Adding full bibliography for 7034604--7034610.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7034606
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
K1 K 0.43000(3) 0.55468(2) 0.570982(14) 0.02306(8) Uani 1 1 d .
O1 O 0.20690(10) 0.65114(9) 0.59564(6) 0.0378(2) Uani 1 1 d .
O2 O 0.43920(11) 0.63652(9) 0.71536(6) 0.0384(2) Uani 1 1 d .
N1 N 0.34924(10) 0.58219(8) 0.41195(6) 0.0196(2) Uani 1 1 d .
N2 N 0.42110(10) 0.66739(8) 0.40939(6) 0.0190(2) Uani 1 1 d .
N3 N 0.53408(10) 0.66432(8) 0.45906(6) 0.0206(2) Uani 1 1 d .
C1 C 0.22621(11) 0.58853(9) 0.35915(6) 0.0185(2) Uani 1 1 d .
C2 C 0.17859(12) 0.49470(9) 0.32024(7) 0.0207(2) Uani 1 1 d .
C3 C 0.06200(12) 0.49672(10) 0.26398(7) 0.0219(2) Uani 1 1 d .
H3 H 0.0305(15) 0.4318(12) 0.2363(9) 0.023(4) Uiso 1 1 d .
C4 C -0.01151(12) 0.58822(10) 0.24587(7) 0.0217(2) Uani 1 1 d .
C5 C 0.03066(12) 0.67751(10) 0.28976(7) 0.0217(2) Uani 1 1 d .
H5 H -0.0230(16) 0.7403(13) 0.2795(9) 0.030(4) Uiso 1 1 d .
C6 C 0.14691(12) 0.67993(9) 0.34667(7) 0.0199(2) Uani 1 1 d .
C7 C 0.25403(14) 0.39291(10) 0.33779(9) 0.0295(3) Uani 1 1 d .
H7C H 0.2852(17) 0.3819(14) 0.3933(11) 0.035(4) Uiso 1 1 d .
H7B H 0.1982(17) 0.3326(14) 0.3154(10) 0.039(4) Uiso 1 1 d .
H7A H 0.3312(19) 0.3908(14) 0.3155(10) 0.040(5) Uiso 1 1 d .
C8 C -0.13077(13) 0.59052(12) 0.18002(8) 0.0296(3) Uani 1 1 d .
H8B H -0.1602(19) 0.5222(17) 0.1632(11) 0.048(5) Uiso 1 1 d .
H8A H -0.206(2) 0.6251(17) 0.1932(13) 0.060(6) Uiso 1 1 d .
H8C H -0.114(2) 0.6293(18) 0.1343(13) 0.062(6) Uiso 1 1 d .
C9 C 0.17950(13) 0.77855(10) 0.39482(8) 0.0267(3) Uani 1 1 d .
H9C H 0.1016(17) 0.8198(14) 0.3931(10) 0.035(4) Uiso 1 1 d .
H9B H 0.2167(17) 0.7609(13) 0.4484(10) 0.034(4) Uiso 1 1 d .
H9A H 0.2410(19) 0.8263(15) 0.3764(11) 0.043(5) Uiso 1 1 d .
C10 C 0.60886(11) 0.75749(9) 0.45181(7) 0.0209(2) Uani 1 1 d .
C11 C 0.60642(11) 0.84307(9) 0.50129(7) 0.0211(2) Uani 1 1 d .
C12 C 0.67955(13) 0.93319(10) 0.49356(7) 0.0237(2) Uani 1 1 d .
H12 H 0.6774(15) 0.9925(13) 0.5267(9) 0.028(4) Uiso 1 1 d .
C13 C 0.75700(13) 0.93961(10) 0.43924(8) 0.0270(3) Uani 1 1 d .
C14 C 0.76056(14) 0.85257(12) 0.39209(9) 0.0335(3) Uani 1 1 d .
H14 H 0.8144(18) 0.8551(15) 0.3540(11) 0.044(5) Uiso 1 1 d .
C15 C 0.68742(14) 0.76175(11) 0.39730(8) 0.0314(3) Uani 1 1 d .
C16 C 0.52562(14) 0.83808(11) 0.56184(8) 0.0270(3) Uani 1 1 d .
H16C H 0.5280(17) 0.9056(14) 0.5885(10) 0.036(4) Uiso 1 1 d .
H16B H 0.5606(17) 0.7848(14) 0.6012(10) 0.036(4) Uiso 1 1 d .
H16A H 0.4348(18) 0.8198(14) 0.5400(11) 0.039(5) Uiso 1 1 d .
C17 C 0.83260(16) 1.03877(12) 0.43012(10) 0.0376(3) Uani 1 1 d .
H17B H 0.7732 1.0997 0.4244 0.056 Uiso 1 1 calc R
H17C H 0.8698 1.0325 0.3842 0.056 Uiso 1 1 calc R
H17A H 0.9038 1.0485 0.4759 0.056 Uiso 1 1 calc R
C18 C 0.6903(2) 0.67061(15) 0.34287(13) 0.0508(5) Uani 1 1 d .
H18C H 0.7402(18) 0.6214(15) 0.3759(10) 0.033(5) Uiso 1 1 d .
H18B H 0.605(2) 0.6397(18) 0.3192(13) 0.064(6) Uiso 1 1 d .
H18A H 0.749(2) 0.686(2) 0.3051(15) 0.079(7) Uiso 1 1 d .
C19 C 0.0786(2) 0.6261(2) 0.55398(13) 0.0593(5) Uani 1 1 d .
H19C H 0.085(2) 0.6019(17) 0.5019(13) 0.059(6) Uiso 1 1 d .
H19B H 0.042(2) 0.5692(18) 0.5806(14) 0.063(6) Uiso 1 1 d .
H19A H 0.018(3) 0.691(2) 0.5500(16) 0.093(9) Uiso 1 1 d .
C20 C 0.20769(16) 0.68531(14) 0.67225(9) 0.0383(3) Uani 1 1 d .
H20B H 0.1781(18) 0.6280(15) 0.7006(11) 0.041(5) Uiso 1 1 d .
H20A H 0.147(2) 0.7466(16) 0.6711(11) 0.049(5) Uiso 1 1 d .
C21 C 0.34403(17) 0.71913(13) 0.71045(9) 0.0377(3) Uani 1 1 d .
H21A H 0.3447(19) 0.7469(15) 0.7619(11) 0.048(5) Uiso 1 1 d .
H21B H 0.3712(17) 0.7755(14) 0.6791(10) 0.038(4) Uiso 1 1 d .
C22 C 0.4449(2) 0.56823(15) 0.77934(10) 0.0442(4) Uani 1 1 d .
H22C H 0.464(2) 0.6072(16) 0.8278(12) 0.051(5) Uiso 1 1 d .
H22B H 0.359(2) 0.5274(18) 0.7742(13) 0.066(6) Uiso 1 1 d .
H22A H 0.518(2) 0.5134(18) 0.7770(12) 0.060(6) Uiso 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'
K K 0.2009 0.2494 '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
O1 K1 O2 62.60(3) . .
O1 K1 N1 91.66(3) . .
O2 K1 N1 147.09(3) . .
O1 K1 N3 111.29(3) . .
O2 K1 N3 122.03(3) . .
N1 K1 N3 45.84(3) . .
O1 K1 N1 161.46(3) . 3_666
O2 K1 N1 105.65(3) . 3_666
N1 K1 N1 103.94(3) . 3_666
N3 K1 N1 86.99(3) . 3_666
O1 K1 N3 127.62(3) . 3_666
O2 K1 N3 124.05(3) . 3_666
N1 K1 N3 87.42(3) . 3_666
N3 K1 N3 104.97(3) . 3_666
N1 K1 N3 45.06(3) 3_666 3_666
O1 K1 N2 94.98(3) . .
O2 K1 N2 131.23(3) . .
N1 K1 N2 24.35(3) . .
N3 K1 N2 24.16(3) . .
N1 K1 N2 103.36(3) 3_666 .
N3 K1 N2 104.18(3) 3_666 .
O1 K1 N2 141.49(3) . 3_666
O2 K1 N2 108.32(3) . 3_666
N1 K1 N2 104.58(3) . 3_666
N3 K1 N2 104.86(3) . 3_666
N1 K1 N2 24.38(3) 3_666 3_666
N3 K1 N2 24.13(3) 3_666 3_666
N2 K1 N2 114.17(2) . 3_666
O1 K1 C7 127.06(3) . 3_666
O2 K1 C7 69.57(4) . 3_666
N1 K1 C7 120.20(4) . 3_666
N3 K1 C7 75.97(3) . 3_666
N1 K1 C7 52.56(3) 3_666 3_666
N3 K1 C7 97.19(3) 3_666 3_666
N2 K1 C7 100.03(3) . 3_666
N2 K1 C7 73.95(3) 3_666 3_666
O1 K1 K1 143.18(3) . 3_666
O2 K1 K1 153.56(3) . 3_666
N1 K1 K1 52.73(2) . 3_666
N3 K1 K1 52.94(2) . 3_666
N1 K1 K1 51.21(2) 3_666 3_666
N3 K1 K1 52.02(2) 3_666 3_666
N2 K1 K1 57.171(19) . 3_666
N2 K1 K1 56.999(19) 3_666 3_666
C7 K1 K1 84.58(3) 3_666 3_666
O1 K1 C21 42.66(4) . .
O2 K1 C21 22.63(4) . .
N1 K1 C21 125.15(4) . .
N3 K1 C21 113.74(3) . .
N1 K1 C21 127.94(4) 3_666 .
N3 K1 C21 140.55(4) 3_666 .
N2 K1 C21 114.16(3) . .
N2 K1 C21 129.85(3) 3_666 .
C7 K1 C21 85.36(4) 3_666 .
K1 K1 C21 165.10(3) 3_666 .
C19 O1 C20 111.89(13) . .
C19 O1 K1 123.61(12) . .
C20 O1 K1 117.41(9) . .
C22 O2 C21 113.61(12) . .
C22 O2 K1 120.27(10) . .
C21 O2 K1 109.75(8) . .
N2 N1 C1 111.67(9) . .
N2 N1 K1 95.18(6) . .
C1 N1 K1 134.94(7) . .
N2 N1 K1 92.87(6) . 3_666
C1 N1 K1 134.39(7) . 3_666
K1 N1 K1 76.06(3) . 3_666
N3 N2 N1 112.72(9) . .
N3 N2 K1 62.37(6) . .
N1 N2 K1 60.46(6) . .
N3 N2 K1 63.66(6) . 3_666
N1 N2 K1 62.76(6) . 3_666
K1 N2 K1 65.83(2) . 3_666
N2 N3 C10 109.96(9) . .
N2 N3 K1 93.47(7) . .
C10 N3 K1 140.02(7) . .
N2 N3 K1 92.20(6) . 3_666
C10 N3 K1 133.10(7) . 3_666
K1 N3 K1 75.03(3) . 3_666
C2 C1 C6 118.96(10) . .
C2 C1 N1 116.56(10) . .
C6 C1 N1 124.38(10) . .
C3 C2 C1 119.58(11) . .
C3 C2 C7 119.81(11) . .
C1 C2 C7 120.60(11) . .
C4 C3 C2 122.11(11) . .
C4 C3 H3 118.7(9) . .
C2 C3 H3 119.2(9) . .
C3 C4 C5 117.37(11) . .
C3 C4 C8 120.99(11) . .
C5 C4 C8 121.63(11) . .
C4 C5 C6 122.74(11) . .
C4 C5 H5 117.8(10) . .
C6 C5 H5 119.5(10) . .
C5 C6 C1 118.70(11) . .
C5 C6 C9 118.62(11) . .
C1 C6 C9 122.62(11) . .
C2 C7 K1 109.76(8) . 3_666
C2 C7 H7C 111.9(10) . .
K1 C7 H7C 58.4(10) 3_666 .
C2 C7 H7B 110.1(10) . .
K1 C7 H7B 139.9(10) 3_666 .
H7C C7 H7B 109.3(14) . .
C2 C7 H7A 112.4(11) . .
K1 C7 H7A 53.0(11) 3_666 .
H7C C7 H7A 106.7(15) . .
H7B C7 H7A 106.3(15) . .
C4 C8 H8B 112.5(12) . .
C4 C8 H8A 113.1(13) . .
H8B C8 H8A 105.6(17) . .
C4 C8 H8C 112.3(13) . .
H8B C8 H8C 107.3(17) . .
H8A C8 H8C 105.7(18) . .
C6 C9 H9C 110.4(10) . .
C6 C9 H9B 110.9(10) . .
H9C C9 H9B 108.0(14) . .
C6 C9 H9A 113.6(11) . .
H9C C9 H9A 105.2(15) . .
H9B C9 H9A 108.5(15) . .
C11 C10 C15 119.92(11) . .
C11 C10 N3 119.67(11) . .
C15 C10 N3 120.38(11) . .
C12 C11 C10 119.05(11) . .
C12 C11 C16 120.53(11) . .
C10 C11 C16 120.42(11) . .
C13 C12 C11 121.97(12) . .
C13 C12 H12 118.5(10) . .
C11 C12 H12 119.5(10) . .
C14 C13 C12 117.93(12) . .
C14 C13 C17 120.74(13) . .
C12 C13 C17 121.31(12) . .
C13 C14 C15 121.78(13) . .
C13 C14 H14 119.4(11) . .
C15 C14 H14 118.8(11) . .
C14 C15 C10 119.31(12) . .
C14 C15 C18 119.98(13) . .
C10 C15 C18 120.69(13) . .
C11 C16 H16C 110.6(10) . .
C11 C16 H16B 111.0(10) . .
H16C C16 H16B 106.9(14) . .
C11 C16 H16A 112.1(11) . .
H16C C16 H16A 108.8(15) . .
H16B C16 H16A 107.3(15) . .
C13 C17 H17B 109.5 . .
C13 C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C13 C17 H17A 109.5 . .
H17B C17 H17A 109.5 . .
H17C C17 H17A 109.5 . .
C15 C18 H18C 101.3(11) . .
C15 C18 H18B 115.9(14) . .
H18C C18 H18B 109.3(17) . .
C15 C18 H18A 111.9(14) . .
H18C C18 H18A 101.9(18) . .
H18B C18 H18A 115(2) . .
O1 C19 H19C 108.0(13) . .
O1 C19 H19B 109.5(14) . .
H19C C19 H19B 109.4(19) . .
O1 C19 H19A 110.9(16) . .
H19C C19 H19A 110(2) . .
H19B C19 H19A 109(2) . .
O1 C20 C21 108.94(12) . .
O1 C20 H20B 109.4(11) . .
C21 C20 H20B 110.9(11) . .
O1 C20 H20A 110.3(11) . .
C21 C20 H20A 108.8(11) . .
H20B C20 H20A 108.6(15) . .
O2 C21 C20 113.25(13) . .
O2 C21 K1 47.62(6) . .
C20 C21 K1 82.80(8) . .
O2 C21 H21A 110.1(11) . .
C20 C21 H21A 109.7(12) . .
K1 C21 H21A 157.7(11) . .
O2 C21 H21B 106.4(10) . .
C20 C21 H21B 108.3(10) . .
K1 C21 H21B 83.2(10) . .
H21A C21 H21B 108.9(15) . .
O2 C22 H22C 111.3(12) . .
O2 C22 H22B 110.9(13) . .
H22C C22 H22B 109.7(18) . .
O2 C22 H22A 106.0(12) . .
H22C C22 H22A 111.6(17) . .
H22B C22 H22A 107.2(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
K1 O1 2.7462(11) .
K1 O2 2.7472(10) .
K1 N1 2.7850(10) .
K1 N3 2.8296(11) .
K1 N1 2.8432(10) 3_666
K1 N3 2.8646(10) 3_666
K1 N2 3.1878(10) .
K1 N2 3.1940(10) 3_666
K1 C7 3.3997(14) 3_666
K1 K1 3.4678(5) 3_666
K1 C21 3.5004(15) .
O1 C19 1.414(2) .
O1 C20 1.4257(18) .
O2 C22 1.419(2) .
O2 C21 1.431(2) .
N1 N2 1.3200(14) .
N1 C1 1.4141(14) .
N1 K1 2.8432(10) 3_666
N2 N3 1.3069(14) .
N2 K1 3.1940(10) 3_666
N3 C10 1.4355(15) .
N3 K1 2.8646(10) 3_666
C1 C2 1.4087(16) .
C1 C6 1.4112(16) .
C2 C3 1.3928(16) .
C2 C7 1.5064(17) .
C3 C4 1.3873(17) .
C3 H3 0.977(15) .
C4 C5 1.3886(17) .
C4 C8 1.5072(17) .
C5 C6 1.3965(16) .
C5 H5 0.966(17) .
C6 C9 1.5093(16) .
C7 K1 3.3998(14) 3_666
C7 H7C 0.978(18) .
C7 H7B 0.988(18) .
C7 H7A 0.972(19) .
C8 H8B 0.94(2) .
C8 H8A 0.97(2) .
C8 H8C 1.00(2) .
C9 H9C 0.960(18) .
C9 H9B 0.970(18) .
C9 H9A 0.99(2) .
C10 C11 1.3991(16) .
C10 C15 1.3999(18) .
C11 C12 1.3960(17) .
C11 C16 1.5062(18) .
C12 C13 1.3900(19) .
C12 H12 0.958(17) .
C13 C14 1.3898(19) .
C13 C17 1.5101(18) .
C14 C15 1.3943(19) .
C14 H14 0.97(2) .
C15 C18 1.510(2) .
C16 H16C 0.975(18) .
C16 H16B 0.982(18) .
C16 H16A 0.969(19) .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C17 H17A 0.9800 .
C18 H18C 0.932(18) .
C18 H18B 0.98(2) .
C18 H18A 1.02(3) .
C19 H19C 0.99(2) .
C19 H19B 0.98(2) .
C19 H19A 1.03(3) .
C20 C21 1.496(2) .
C20 H20B 0.972(19) .
C20 H20A 1.00(2) .
C21 H21A 0.98(2) .
C21 H21B 0.984(18) .
C22 H22C 0.97(2) .
C22 H22B 1.02(2) .
C22 H22A 1.04(2) .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139166112
