#------------------------------------------------------------------------------
#$Date: 2016-03-26 14:14:05 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180253 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/39/7113919.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_7113919
loop_
_publ_author_name
'Li Jia'
'Qi Chen'
'Yin-Shan Meng'
'Hao-Ling Sun'
'Song Gao'
_publ_section_title
;
 Elucidation of slow magnetic relaxation in a ferromagnetic 1D dysprosium
 chain through magnetic dilution
;
_journal_name_full               Chem.Commun.
_journal_page_first              6052
_journal_paper_doi               10.1039/C4CC01368A
_journal_volume                  50
_journal_year                    2014
_chemical_formula_sum            'C33 H31 N6 O11 Y'
_chemical_formula_weight         776.55
_chemical_name_systematic
; 
 ? 
;
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.4190(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0896(5)
_cell_length_b                   23.7561(10)
_cell_length_c                   14.7146(7)
_cell_measurement_reflns_used    4808
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      21.57
_cell_measurement_theta_min      2.29
_cell_volume                     3346.3(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0635
_diffrn_reflns_av_sigmaI/netI    0.0579
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            40784
_diffrn_reflns_theta_full        27.61
_diffrn_reflns_theta_max         27.61
_diffrn_reflns_theta_min         2.13
_exptl_absorpt_coefficient_mu    1.814
_exptl_absorpt_correction_T_max  0.8685
_exptl_absorpt_correction_T_min  0.7853
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       columnar
_exptl_crystal_F_000             1592
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.431
_refine_diff_density_min         -0.504
_refine_diff_density_rms         0.084
_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     491
_refine_ls_number_reflns         7671
_refine_ls_number_restraints     69
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.1043
_refine_ls_R_factor_gt           0.0600
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0158P)²+9.0693P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1025
_refine_ls_wR_factor_ref         0.1208
_reflns_number_gt                5181
_reflns_number_total             7671
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc01368a2.cif
_cod_data_source_block           110524a_0m
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7113919
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
C1 C 0.5668(4) 0.98196(16) 0.6622(3) 0.0250(8) Uani 1 1 d .
C2 C 0.6543(4) 0.96371(17) 0.7624(3) 0.0276(9) Uani 1 1 d .
C3 C 0.5911(4) 0.9486(2) 0.8290(3) 0.0409(11) Uani 1 1 d .
H3A H 0.4949 0.9513 0.8161 0.049 Uiso 1 1 calc R
C4 C 0.6777(5) 0.9294(2) 0.9162(3) 0.0507(13) Uani 1 1 d .
H4A H 0.6373 0.9175 0.9617 0.061 Uiso 1 1 calc R
C5 C 0.8679(4) 0.94495(18) 0.8704(3) 0.0337(10) Uani 1 1 d .
C6 C 1.0230(4) 0.9455(2) 0.8951(3) 0.0392(11) Uani 1 1 d .
C7 C 1.1052(5) 0.9151(3) 0.9715(4) 0.0730(19) Uani 1 1 d U
H7A H 1.0643 0.8942 1.0089 0.088 Uiso 1 1 calc R
C8 C 1.2492(6) 0.9155(3) 0.9930(5) 0.083(2) Uani 1 1 d U
H8A H 1.3042 0.8938 1.0435 0.100 Uiso 1 1 calc R
C9 C 1.3104(5) 0.9472(3) 0.9413(4) 0.0676(17) Uani 1 1 d U
H9A H 1.4073 0.9484 0.9580 0.081 Uiso 1 1 calc R
C10 C 1.2312(5) 0.9774(3) 0.8649(4) 0.0632(16) Uani 1 1 d U
H10A H 1.2733 0.9982 0.8280 0.076 Uiso 1 1 calc R
C11 C 1.0877(5) 0.9767(2) 0.8426(3) 0.0484(13) Uani 1 1 d U
H11A H 1.0335 0.9979 0.7911 0.058 Uiso 1 1 calc R
C12 C 0.9481(4) 0.93775(16) 0.3765(3) 0.0259(8) Uani 1 1 d .
C13 C 0.8624(4) 0.90096(17) 0.2944(3) 0.0301(9) Uani 1 1 d .
C14 C 0.9174(5) 0.8811(2) 0.2265(3) 0.0454(12) Uani 1 1 d .
H14A H 1.0090 0.8892 0.2299 0.055 Uiso 1 1 calc R
C15 C 0.8333(5) 0.8491(2) 0.1533(4) 0.0551(15) Uani 1 1 d .
H15A H 0.8696 0.8351 0.1071 0.066 Uiso 1 1 calc R
C16 C 0.6545(4) 0.85834(18) 0.2155(3) 0.0331(10) Uani 1 1 d .
C17 C 0.5062(4) 0.84652(18) 0.2067(3) 0.0323(9) Uani 1 1 d .
C18 C 0.4396(5) 0.7997(2) 0.1571(4) 0.0439(12) Uani 1 1 d .
H18A H 0.4880 0.7753 0.1296 0.053 Uiso 1 1 calc R
C19 C 0.3015(5) 0.7891(2) 0.1483(4) 0.0513(13) Uani 1 1 d .
H19A H 0.2569 0.7577 0.1146 0.062 Uiso 1 1 calc R
C20 C 0.2304(5) 0.8249(2) 0.1893(4) 0.0492(13) Uani 1 1 d .
H20A H 0.1373 0.8179 0.1833 0.059 Uiso 1 1 calc R
C21 C 0.2961(5) 0.8711(2) 0.2391(4) 0.0548(14) Uani 1 1 d .
H21A H 0.2481 0.8953 0.2674 0.066 Uiso 1 1 calc R
C22 C 0.4333(4) 0.8816(2) 0.2473(3) 0.0432(12) Uani 1 1 d .
H22A H 0.4774 0.9131 0.2810 0.052 Uiso 1 1 calc R
Y1 Y 0.75069(4) 1.005766(15) 0.49858(3) 0.02427(10) Uani 1 1 d .
N1 N 0.7929(3) 0.96173(14) 0.7822(2) 0.0299(8) Uani 1 1 d .
N2 N 0.8160(4) 0.92699(19) 0.9382(3) 0.0475(10) Uani 1 1 d .
N3 N 0.7301(3) 0.88942(14) 0.2898(2) 0.0295(8) Uani 1 1 d .
N4 N 0.7011(4) 0.83730(19) 0.1465(3) 0.0528(11) Uani 1 1 d .
O1 O 0.6298(3) 0.99259(13) 0.60357(19) 0.0347(7) Uani 1 1 d .
O2 O 0.4377(3) 0.98527(11) 0.64575(19) 0.0296(6) Uani 1 1 d .
O3 O 0.8891(3) 0.95605(13) 0.4328(2) 0.0388(7) Uani 1 1 d .
O4 O 1.0718(3) 0.94694(12) 0.3816(2) 0.0346(7) Uani 1 1 d .
O7 O 0.6393(3) 1.09224(12) 0.5128(2) 0.0344(7) Uani 1 1 d D
O8 O 0.8299(3) 1.06988(14) 0.4066(2) 0.0408(8) Uani 1 1 d D
O9 O 0.8894(3) 0.93743(13) 0.6224(2) 0.0342(7) Uani 1 1 d D
O10 O 0.6400(3) 0.91368(12) 0.4561(2) 0.0351(7) Uani 1 1 d D
O11 O 0.7432(3) 0.83499(13) 0.5976(2) 0.0451(8) Uani 1 1 d D
C23 C 0.5540(5) 0.15982(19) 0.2956(4) 0.0415(11) Uani 1 1 d .
C24 C 0.4645(4) 0.19101(19) 0.2061(3) 0.0376(10) Uani 1 1 d .
C25 C 0.5204(5) 0.2059(2) 0.1350(4) 0.0492(13) Uani 1 1 d .
H25A H 0.6104 0.1953 0.1379 0.059 Uiso 1 1 calc R
C26 C 0.4376(5) 0.2367(2) 0.0604(4) 0.0556(14) Uani 1 1 d .
H26A H 0.4737 0.2483 0.0127 0.067 Uiso 1 1 calc R
C27 C 0.2585(4) 0.23249(18) 0.1235(3) 0.0358(10) Uani 1 1 d .
C28 C 0.1124(5) 0.2462(2) 0.1165(3) 0.0395(11) Uani 1 1 d .
C29 C 0.0390(5) 0.2875(2) 0.0535(4) 0.0458(12) Uani 1 1 d .
H29A H 0.0811 0.3060 0.0141 0.055 Uiso 1 1 calc R
C30 C -0.0966(5) 0.3011(2) 0.0491(4) 0.0515(13) Uani 1 1 d .
H30A H -0.1450 0.3289 0.0071 0.062 Uiso 1 1 calc R
C31 C -0.1589(5) 0.2737(2) 0.1064(4) 0.0587(15) Uani 1 1 d .
H31A H -0.2494 0.2831 0.1040 0.070 Uiso 1 1 calc R
C32 C -0.0881(6) 0.2323(3) 0.1673(5) 0.0675(17) Uani 1 1 d .
H32A H -0.1319 0.2130 0.2049 0.081 Uiso 1 1 calc R
C33 C 0.0482(5) 0.2189(2) 0.1735(4) 0.0548(14) Uani 1 1 d .
H33A H 0.0963 0.1914 0.2164 0.066 Uiso 1 1 calc R
N5 N 0.3335(4) 0.20368(15) 0.2009(3) 0.0377(9) Uani 1 1 d .
N6 N 0.3063(4) 0.25087(17) 0.0534(3) 0.0461(10) Uani 1 1 d .
O5 O 0.5060(3) 0.15420(14) 0.3631(3) 0.0523(9) Uani 1 1 d .
O6 O 0.6694(3) 0.14318(15) 0.2919(3) 0.0571(10) Uani 1 1 d .
H10C H 0.668(6) 0.902(2) 0.404(2) 0.080(6) Uiso 1 1 d D
H9D H 0.855(5) 0.9003(11) 0.613(3) 0.080(6) Uiso 1 1 d D
H7C H 0.598(5) 1.1170(19) 0.461(3) 0.080(6) Uiso 1 1 d D
H7D H 0.581(5) 1.091(2) 0.551(3) 0.080(6) Uiso 1 1 d D
H11C H 0.678(5) 0.835(2) 0.632(4) 0.080(6) Uiso 1 1 d D
H11D H 0.734(5) 0.8000(14) 0.566(4) 0.080(6) Uiso 1 1 d D
H8C H 0.772(4) 1.0968(18) 0.365(3) 0.080(6) Uiso 1 1 d D
H9C H 0.879(6) 0.9501(19) 0.681(2) 0.080(6) Uiso 1 1 d D
H10D H 0.665(6) 0.8849(17) 0.503(3) 0.080(6) Uiso 1 1 d D
H8D H 0.907(4) 1.064(2) 0.385(4) 0.080(6) Uiso 1 1 d 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'
Y Y -2.7962 3.5667 '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 C1 O2 125.5(4) . .
O1 C1 C2 117.4(3) . .
O2 C1 C2 117.1(3) . .
N1 C2 C3 121.6(4) . .
N1 C2 C1 117.9(3) . .
C3 C2 C1 120.5(3) . .
C2 C3 C4 116.7(4) . .
C2 C3 H3A 121.7 . .
C4 C3 H3A 121.7 . .
N2 C4 C3 123.1(4) . .
N2 C4 H4A 118.4 . .
C3 C4 H4A 118.4 . .
N2 C5 N1 125.7(4) . .
N2 C5 C6 116.8(4) . .
N1 C5 C6 117.5(4) . .
C7 C6 C11 118.2(4) . .
C7 C6 C5 120.8(4) . .
C11 C6 C5 121.0(4) . .
C6 C7 C8 120.2(5) . .
C6 C7 H7A 119.9 . .
C8 C7 H7A 119.9 . .
C9 C8 C7 120.5(5) . .
C9 C8 H8A 119.7 . .
C7 C8 H8A 119.7 . .
C8 C9 C10 120.4(5) . .
C8 C9 H9A 119.8 . .
C10 C9 H9A 119.8 . .
C9 C10 C11 119.2(5) . .
C9 C10 H10A 120.4 . .
C11 C10 H10A 120.4 . .
C6 C11 C10 121.4(5) . .
C6 C11 H11A 119.3 . .
C10 C11 H11A 119.3 . .
O3 C12 O4 125.5(4) . .
O3 C12 C13 117.4(3) . .
O4 C12 C13 117.1(4) . .
N3 C13 C14 121.2(4) . .
N3 C13 C12 117.6(3) . .
C14 C13 C12 121.2(4) . .
C13 C14 C15 118.1(4) . .
C13 C14 H14A 121.0 . .
C15 C14 H14A 121.0 . .
N4 C15 C14 122.1(4) . .
N4 C15 H15A 119.0 . .
C14 C15 H15A 119.0 . .
N3 C16 N4 125.3(4) . .
N3 C16 C17 118.2(4) . .
N4 C16 C17 116.5(4) . .
C22 C17 C18 118.8(4) . .
C22 C17 C16 120.8(4) . .
C18 C17 C16 120.4(4) . .
C17 C18 C19 120.3(4) . .
C17 C18 H18A 119.9 . .
C19 C18 H18A 119.9 . .
C20 C19 C18 119.9(4) . .
C20 C19 H19A 120.1 . .
C18 C19 H19A 120.1 . .
C21 C20 C19 120.1(4) . .
C21 C20 H20A 120.0 . .
C19 C20 H20A 120.0 . .
C20 C21 C22 119.8(5) . .
C20 C21 H21A 120.1 . .
C22 C21 H21A 120.1 . .
C17 C22 C21 121.1(4) . .
C17 C22 H22A 119.4 . .
C21 C22 H22A 119.4 . .
O3 Y1 O1 138.95(11) . .
O3 Y1 O8 73.93(11) . .
O1 Y1 O8 146.91(11) . .
O3 Y1 O4 98.17(10) . 3_776
O1 Y1 O4 90.08(10) . 3_776
O8 Y1 O4 78.77(11) . 3_776
O3 Y1 O2 95.30(10) . 3_676
O1 Y1 O2 99.83(9) . 3_676
O8 Y1 O2 75.34(10) . 3_676
O4 Y1 O2 146.11(10) 3_776 3_676
O3 Y1 O7 149.14(11) . .
O1 Y1 O7 71.91(11) . .
O8 Y1 O7 75.31(11) . .
O4 Y1 O7 77.99(10) 3_776 .
O2 Y1 O7 74.59(10) 3_676 .
O3 Y1 O10 73.62(10) . .
O1 Y1 O10 75.56(10) . .
O8 Y1 O10 130.27(11) . .
O4 Y1 O10 142.47(10) 3_776 .
O2 Y1 O10 71.30(10) 3_676 .
O7 Y1 O10 127.14(10) . .
O3 Y1 O9 72.27(11) . .
O1 Y1 O9 73.35(10) . .
O8 Y1 O9 128.82(10) . .
O4 Y1 O9 69.42(10) 3_776 .
O2 Y1 O9 144.47(10) 3_676 .
O7 Y1 O9 131.60(10) . .
O10 Y1 O9 73.25(10) . .
C2 N1 C5 117.0(3) . .
C4 N2 C5 115.7(4) . .
C16 N3 C13 117.0(4) . .
C15 N4 C16 116.4(4) . .
C1 O1 Y1 176.0(3) . .
C1 O2 Y1 132.1(2) . 3_676
C12 O3 Y1 163.2(3) . .
C12 O4 Y1 129.6(3) . 3_776
Y1 O7 H7C 124(3) . .
Y1 O7 H7D 115(3) . .
H7C O7 H7D 108(3) . .
Y1 O8 H8C 124(3) . .
Y1 O8 H8D 125(3) . .
H8C O8 H8D 107(3) . .
Y1 O9 H9D 114(3) . .
Y1 O9 H9C 105(3) . .
H9D O9 H9C 107(3) . .
Y1 O10 H10C 104(3) . .
Y1 O10 H10D 118(3) . .
H10C O10 H10D 107(3) . .
H11C O11 H11D 106(3) . .
O5 C23 O6 127.3(4) . .
O5 C23 C24 117.8(4) . .
O6 C23 C24 114.9(4) . .
N5 C24 C25 122.2(4) . .
N5 C24 C23 117.6(4) . .
C25 C24 C23 120.3(4) . .
C26 C25 C24 117.0(4) . .
C26 C25 H25A 121.5 . .
C24 C25 H25A 121.5 . .
N6 C26 C25 122.5(5) . .
N6 C26 H26A 118.8 . .
C25 C26 H26A 118.8 . .
N5 C27 N6 125.2(4) . .
N5 C27 C28 116.9(4) . .
N6 C27 C28 117.8(4) . .
C33 C28 C29 119.1(4) . .
C33 C28 C27 120.3(4) . .
C29 C28 C27 120.6(4) . .
C30 C29 C28 120.3(5) . .
C30 C29 H29A 119.8 . .
C28 C29 H29A 119.8 . .
C31 C30 C29 119.9(5) . .
C31 C30 H30A 120.0 . .
C29 C30 H30A 120.0 . .
C30 C31 C32 120.0(5) . .
C30 C31 H31A 120.0 . .
C32 C31 H31A 120.0 . .
C31 C32 C33 120.6(5) . .
C31 C32 H32A 119.7 . .
C33 C32 H32A 119.7 . .
C28 C33 C32 120.0(5) . .
C28 C33 H33A 120.0 . .
C32 C33 H33A 120.0 . .
C24 N5 C27 116.6(4) . .
C26 N6 C27 116.5(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.248(4) .
C1 O2 1.250(4) .
C1 C2 1.523(5) .
C2 N1 1.336(5) .
C2 C3 1.375(6) .
C3 C4 1.382(6) .
C3 H3A 0.9300 .
C4 N2 1.330(6) .
C4 H4A 0.9300 .
C5 N2 1.335(5) .
C5 N1 1.341(5) .
C5 C6 1.490(6) .
C6 C7 1.372(6) .
C6 C11 1.376(6) .
C7 C8 1.386(7) .
C7 H7A 0.9300 .
C8 C9 1.351(8) .
C8 H8A 0.9300 .
C9 C10 1.359(7) .
C9 H9A 0.9300 .
C10 C11 1.381(7) .
C10 H10A 0.9300 .
C11 H11A 0.9300 .
C12 O3 1.241(5) .
C12 O4 1.246(4) .
C12 C13 1.520(5) .
C13 N3 1.343(5) .
C13 C14 1.370(6) .
C14 C15 1.371(6) .
C14 H14A 0.9300 .
C15 N4 1.335(6) .
C15 H15A 0.9300 .
C16 N3 1.340(5) .
C16 N4 1.343(6) .
C16 C17 1.488(6) .
C17 C22 1.368(6) .
C17 C18 1.381(6) .
C18 C19 1.382(6) .
C18 H18A 0.9300 .
C19 C20 1.370(7) .
C19 H19A 0.9300 .
C20 C21 1.368(7) .
C20 H20A 0.9300 .
C21 C22 1.374(6) .
C21 H21A 0.9300 .
C22 H22A 0.9300 .
Y1 O3 2.266(3) .
Y1 O1 2.273(3) .
Y1 O8 2.340(3) .
Y1 O4 2.363(3) 3_776
Y1 O2 2.370(3) 3_676
Y1 O7 2.382(3) .
Y1 O10 2.446(3) .
Y1 O9 2.511(3) .
O2 Y1 2.370(3) 3_676
O4 Y1 2.363(3) 3_776
O7 H7C 0.946(19) .
O7 H7D 0.934(19) .
O8 H8C 0.944(19) .
O8 H8D 0.945(19) .
O9 H9D 0.942(19) .
O9 H9C 0.948(19) .
O10 H10C 0.938(19) .
O10 H10D 0.946(19) .
O11 H11C 0.952(19) .
O11 H11D 0.943(19) .
C23 O5 1.241(6) .
C23 O6 1.247(5) .
C23 C24 1.532(6) .
C24 N5 1.334(5) .
C24 C25 1.382(6) .
C25 C26 1.364(7) .
C25 H25A 0.9300 .
C26 N6 1.339(6) .
C26 H26A 0.9300 .
C27 N5 1.340(5) .
C27 N6 1.342(6) .
C27 C28 1.481(6) .
C28 C33 1.374(7) .
C28 C29 1.392(6) .
C29 C30 1.387(6) .
C29 H29A 0.9300 .
C30 C31 1.366(7) .
C30 H30A 0.9300 .
C31 C32 1.369(8) .
C31 H31A 0.9300 .
C32 C33 1.387(7) .
C32 H32A 0.9300 .
C33 H33A 0.9300 .
