#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:32:09 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180341 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/10/7201074.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_7201074
loop_
_publ_author_name
'Dai, Fangna'
'He, Haiyan'
'Gao, Dongliang'
'Ye, Fei'
'Qiu, Xiaoliang'
'Sun, Daofeng'
_publ_section_title
;
 Construction of copper metal--organic systems based on paddlewheel SBU
 through altering the substituent positions of new flexible carboxylate
 ligands
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              2516
_journal_paper_doi               10.1039/b904671b
_journal_volume                  11
_journal_year                    2009
_chemical_formula_sum            'C62 H72 Cu2 N4 O16'
_chemical_formula_weight         1256.32
_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                 113.182(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.5453(11)
_cell_length_b                   10.0554(7)
_cell_length_c                   21.4858(12)
_cell_measurement_reflns_used    2041
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      20.35
_cell_measurement_theta_min      2.46
_cell_volume                     3087.4(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0534
_diffrn_reflns_av_sigmaI/netI    0.0609
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            13531
_diffrn_reflns_theta_full        23.78
_diffrn_reflns_theta_max         23.78
_diffrn_reflns_theta_min         1.99
_exptl_absorpt_coefficient_mu    0.759
_exptl_absorpt_correction_T_max  0.9630
_exptl_absorpt_correction_T_min  0.9280
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.351
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1316
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.765
_refine_diff_density_min         -0.660
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         4700
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0849
_refine_ls_R_factor_gt           0.0549
_refine_ls_shift/su_max          0.041
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1047P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1488
_refine_ls_wR_factor_ref         0.1746
_reflns_number_gt                3292
_reflns_number_total             4700
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b904671b.txt
_cod_data_source_block           test2
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7201074
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
Cu Cu 0.51809(4) 0.61974(5) -0.01589(3) 0.0327(2) Uani 1 1 d . . .
O1 O 0.4835(2) 0.6754(3) 0.05849(18) 0.0466(9) Uani 1 1 d . . .
O2 O 0.4507(2) 0.4731(3) 0.08515(16) 0.0424(9) Uani 1 1 d . . .
O3 O 0.3252(2) 0.5476(4) 0.14653(17) 0.0463(9) Uani 1 1 d . . .
O4 O 0.1594(2) 0.4164(4) -0.09351(18) 0.0483(9) Uani 1 1 d . . .
O5 O 0.3543(2) 0.4079(3) -0.05324(17) 0.0419(8) Uani 1 1 d . . .
O6 O 0.3868(2) 0.6116(3) -0.08074(18) 0.0494(9) Uani 1 1 d . . .
O7 O 0.5539(3) 0.8094(3) -0.04434(18) 0.0478(9) Uani 1 1 d . . .
N1 N 0.6565(3) 0.9168(4) -0.0765(3) 0.0596(14) Uani 1 1 d . . .
C1 C 0.4658(3) 0.5948(5) 0.0966(2) 0.0348(12) Uani 1 1 d . . .
C2 C 0.4678(4) 0.6504(5) 0.1614(2) 0.0411(12) Uani 1 1 d . . .
C3 C 0.5426(4) 0.7273(5) 0.1999(3) 0.0556(15) Uani 1 1 d . . .
H3A H 0.5905 0.7414 0.1849 0.067 Uiso 1 1 calc R . .
C4 C 0.5493(5) 0.7844(6) 0.2600(3) 0.0679(18) Uani 1 1 d . . .
H4A H 0.6018 0.8338 0.2859 0.082 Uiso 1 1 calc R . .
C5 C 0.4784(5) 0.7674(6) 0.2810(3) 0.0697(19) Uani 1 1 d . . .
H5A H 0.4812 0.8084 0.3205 0.084 Uiso 1 1 calc R . .
C6 C 0.4023(5) 0.6899(6) 0.2442(3) 0.0560(15) Uani 1 1 d . . .
H6A H 0.3543 0.6785 0.2592 0.067 Uiso 1 1 calc R . .
C7 C 0.3967(4) 0.6287(5) 0.1847(2) 0.0389(12) Uani 1 1 d . . .
C8 C 0.2397(4) 0.5540(6) 0.1557(3) 0.0567(15) Uani 1 1 d . . .
H8A H 0.2162 0.6445 0.1494 0.068 Uiso 1 1 calc R . .
H8B H 0.2494 0.5259 0.2012 0.068 Uiso 1 1 calc R . .
C9 C 0.1710(4) 0.4637(5) 0.1047(3) 0.0476(14) Uani 1 1 d . . .
C14 C 0.1494(4) 0.4841(5) 0.0353(3) 0.0467(13) Uani 1 1 d . . .
C13 C 0.0910(4) 0.3950(5) -0.0121(3) 0.0476(14) Uani 1 1 d . . .
C12 C 0.0491(4) 0.2902(6) 0.0091(3) 0.0550(15) Uani 1 1 d . . .
C11 C 0.0675(4) 0.2765(6) 0.0763(3) 0.0583(16) Uani 1 1 d . . .
H11A H 0.0376 0.2090 0.0897 0.070 Uiso 1 1 calc R . .
C10 C 0.1288(4) 0.3592(6) 0.1255(3) 0.0544(15) Uani 1 1 d . . .
C17 C 0.1885(4) 0.6036(6) 0.0124(3) 0.0565(15) Uani 1 1 d . . .
H17A H 0.2449 0.5787 0.0071 0.085 Uiso 1 1 calc R . .
H17B H 0.2020 0.6729 0.0456 0.085 Uiso 1 1 calc R . .
H17C H 0.1433 0.6349 -0.0301 0.085 Uiso 1 1 calc R . .
C16 C -0.0141(5) 0.1896(7) -0.0401(4) 0.0748(19) Uani 1 1 d . . .
H16A H 0.0226 0.1331 -0.0562 0.112 Uiso 1 1 calc R . .
H16B H -0.0602 0.2353 -0.0777 0.112 Uiso 1 1 calc R . .
H16C H -0.0447 0.1367 -0.0178 0.112 Uiso 1 1 calc R . .
C15 C 0.1479(5) 0.3330(7) 0.1989(4) 0.086(2) Uani 1 1 d . . .
H15A H 0.1063 0.2651 0.2018 0.129 Uiso 1 1 calc R . .
H15B H 0.1381 0.4132 0.2195 0.129 Uiso 1 1 calc R . .
H15C H 0.2115 0.3041 0.2220 0.129 Uiso 1 1 calc R . .
C18 C 0.0715(4) 0.4124(6) -0.0853(3) 0.0549(15) Uani 1 1 d . . .
H18A H 0.0336 0.3391 -0.1112 0.066 Uiso 1 1 calc R . .
H18B H 0.0372 0.4945 -0.1019 0.066 Uiso 1 1 calc R . .
C19 C 0.1597(4) 0.4655(5) -0.1524(3) 0.0461(13) Uani 1 1 d . . .
C20 C 0.0806(4) 0.4740(7) -0.2118(3) 0.0652(17) Uani 1 1 d . . .
H20A H 0.0234 0.4447 -0.2126 0.078 Uiso 1 1 calc R . .
C21 C 0.0853(5) 0.5257(8) -0.2705(3) 0.081(2) Uani 1 1 d . . .
H21A H 0.0317 0.5299 -0.3103 0.097 Uiso 1 1 calc R . .
C22 C 0.1678(6) 0.5698(8) -0.2698(3) 0.083(2) Uani 1 1 d . . .
H22A H 0.1712 0.6038 -0.3090 0.099 Uiso 1 1 calc R . .
C23 C 0.2465(4) 0.5641(7) -0.2108(3) 0.0631(17) Uani 1 1 d . . .
H23A H 0.3029 0.5949 -0.2108 0.076 Uiso 1 1 calc R . .
C24 C 0.2446(4) 0.5140(5) -0.1513(3) 0.0451(13) Uani 1 1 d . . .
C25 C 0.3342(3) 0.5112(5) -0.0900(2) 0.0387(12) Uani 1 1 d . . .
C26 C 0.6263(4) 0.8136(5) -0.0556(3) 0.0518(14) Uani 1 1 d . . .
H26A H 0.6616 0.7361 -0.0484 0.062 Uiso 1 1 calc R . .
C27 C 0.6064(7) 1.0400(10) -0.0904(5) 0.123(3) Uiso 1 1 d . . .
H27A H 0.5596 1.0388 -0.1358 0.185 Uiso 1 1 calc R . .
H27B H 0.6491 1.1120 -0.0857 0.185 Uiso 1 1 calc R . .
H27C H 0.5769 1.0520 -0.0591 0.185 Uiso 1 1 calc R . .
C28 C 0.7417(6) 0.9150(9) -0.0904(5) 0.123(4) Uani 1 1 d . . .
H28A H 0.7684 0.8274 -0.0823 0.184 Uiso 1 1 calc R . .
H28B H 0.7861 0.9774 -0.0612 0.184 Uiso 1 1 calc R . .
H28C H 0.7264 0.9392 -0.1368 0.184 Uiso 1 1 calc R . .
N01 N 0.7479(4) 1.0084(6) 0.1082(3) 0.0819(17) Uani 1 1 d D . .
C01 C 0.7931(7) 0.8993(10) 0.1085(5) 0.131(4) Uani 1 1 d D . .
H01A H 0.7747 0.8124 0.1116 0.157 Uiso 1 1 calc R . .
C03 C 0.6550(7) 1.0036(14) 0.1066(5) 0.175(6) Uani 1 1 d . . .
H03A H 0.6346 0.9127 0.1032 0.263 Uiso 1 1 calc R . .
H03B H 0.6135 1.0526 0.0682 0.263 Uiso 1 1 calc R . .
H03C H 0.6546 1.0421 0.1474 0.263 Uiso 1 1 calc R . .
C04 C 0.7947(14) 1.1294(11) 0.1112(9) 0.380(18) Uani 1 1 d D . .
H04A H 0.8553 1.1121 0.1111 0.570 Uiso 1 1 calc R . .
H04B H 0.8016 1.1759 0.1520 0.570 Uiso 1 1 calc R . .
H04C H 0.7590 1.1830 0.0727 0.570 Uiso 1 1 calc R . .
O01 O 0.8728(8) 0.941(2) 0.1034(8) 0.52(2) Uani 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'
Cu Cu 0.3201 1.2651 '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
O1 Cu O6 92.78(15) . . ?
O1 Cu O2 168.35(14) . 3_665 ?
O6 Cu O2 86.59(15) . 3_665 ?
O1 Cu O5 86.76(15) . 3_665 ?
O6 Cu O5 168.90(14) . 3_665 ?
O2 Cu O5 91.62(14) 3_665 3_665 ?
O1 Cu O7 99.45(14) . . ?
O6 Cu O7 98.54(14) . . ?
O2 Cu O7 92.15(13) 3_665 . ?
O5 Cu O7 92.47(14) 3_665 . ?
O1 Cu Cu 83.91(10) . 3_665 ?
O6 Cu Cu 82.95(10) . 3_665 ?
O2 Cu Cu 84.47(10) 3_665 3_665 ?
O5 Cu Cu 85.97(10) 3_665 3_665 ?
O7 Cu Cu 176.22(10) . 3_665 ?
C1 O1 Cu 123.3(3) . . ?
C1 O2 Cu 121.9(3) . 3_665 ?
C7 O3 C8 118.4(4) . . ?
C19 O4 C18 118.2(4) . . ?
C25 O5 Cu 120.8(3) . 3_665 ?
C25 O6 Cu 124.8(3) . . ?
C26 O7 Cu 116.3(3) . . ?
C26 N1 C27 121.7(6) . . ?
C26 N1 C28 122.9(5) . . ?
C27 N1 C28 115.4(6) . . ?
O2 C1 O1 125.1(4) . . ?
O2 C1 C2 118.9(4) . . ?
O1 C1 C2 115.9(4) . . ?
C3 C2 C7 118.4(5) . . ?
C3 C2 C1 118.5(5) . . ?
C7 C2 C1 123.2(5) . . ?
C2 C3 C4 122.2(6) . . ?
C2 C3 H3A 118.9 . . ?
C4 C3 H3A 118.9 . . ?
C5 C4 C3 119.2(6) . . ?
C5 C4 H4A 120.4 . . ?
C3 C4 H4A 120.4 . . ?
C4 C5 C6 120.5(6) . . ?
C4 C5 H5A 119.8 . . ?
C6 C5 H5A 119.8 . . ?
C5 C6 C7 120.6(6) . . ?
C5 C6 H6A 119.7 . . ?
C7 C6 H6A 119.7 . . ?
O3 C7 C6 124.1(5) . . ?
O3 C7 C2 116.7(4) . . ?
C6 C7 C2 119.1(5) . . ?
O3 C8 C9 107.9(4) . . ?
O3 C8 H8A 110.1 . . ?
C9 C8 H8A 110.1 . . ?
O3 C8 H8B 110.1 . . ?
C9 C8 H8B 110.1 . . ?
H8A C8 H8B 108.4 . . ?
C10 C9 C14 120.0(5) . . ?
C10 C9 C8 120.6(5) . . ?
C14 C9 C8 119.4(5) . . ?
C13 C14 C9 119.8(5) . . ?
C13 C14 C17 120.1(5) . . ?
C9 C14 C17 120.1(5) . . ?
C14 C13 C12 119.8(5) . . ?
C14 C13 C18 120.0(5) . . ?
C12 C13 C18 120.2(5) . . ?
C11 C12 C13 119.2(6) . . ?
C11 C12 C16 118.8(6) . . ?
C13 C12 C16 122.0(6) . . ?
C12 C11 C10 122.7(5) . . ?
C12 C11 H11A 118.6 . . ?
C10 C11 H11A 118.6 . . ?
C11 C10 C9 118.3(5) . . ?
C11 C10 C15 119.0(6) . . ?
C9 C10 C15 122.7(6) . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C12 C16 H16A 109.5 . . ?
C12 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C12 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C10 C15 H15A 109.5 . . ?
C10 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C10 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O4 C18 C13 108.8(4) . . ?
O4 C18 H18A 109.9 . . ?
C13 C18 H18A 109.9 . . ?
O4 C18 H18B 109.9 . . ?
C13 C18 H18B 109.9 . . ?
H18A C18 H18B 108.3 . . ?
O4 C19 C20 123.6(5) . . ?
O4 C19 C24 117.4(5) . . ?
C20 C19 C24 119.0(5) . . ?
C19 C20 C21 120.9(6) . . ?
C19 C20 H20A 119.5 . . ?
C21 C20 H20A 119.5 . . ?
C22 C21 C20 120.0(6) . . ?
C22 C21 H21A 120.0 . . ?
C20 C21 H21A 120.0 . . ?
C21 C22 C23 119.7(6) . . ?
C21 C22 H22A 120.2 . . ?
C23 C22 H22A 120.2 . . ?
C22 C23 C24 122.1(6) . . ?
C22 C23 H23A 118.9 . . ?
C24 C23 H23A 118.9 . . ?
C23 C24 C19 118.3(5) . . ?
C23 C24 C25 118.0(5) . . ?
C19 C24 C25 123.7(5) . . ?
O6 C25 O5 124.8(5) . . ?
O6 C25 C24 116.4(4) . . ?
O5 C25 C24 118.8(5) . . ?
O7 C26 N1 125.3(5) . . ?
O7 C26 H26A 117.3 . . ?
N1 C26 H26A 117.3 . . ?
N1 C27 H27A 109.5 . . ?
N1 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
N1 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N1 C28 H28A 109.5 . . ?
N1 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
N1 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C01 N01 C04 117.4(11) . . ?
C01 N01 C03 120.6(9) . . ?
C04 N01 C03 121.9(11) . . ?
N01 C01 O01 104.5(12) . . ?
N01 C01 H01A 127.7 . . ?
O01 C01 H01A 127.7 . . ?
N01 C03 H03A 109.5 . . ?
N01 C03 H03B 109.5 . . ?
H03A C03 H03B 109.5 . . ?
N01 C03 H03C 109.5 . . ?
H03A C03 H03C 109.5 . . ?
H03B C03 H03C 109.5 . . ?
N01 C04 H04A 109.5 . . ?
N01 C04 H04B 109.5 . . ?
H04A C04 H04B 109.5 . . ?
N01 C04 H04C 109.5 . . ?
H04A C04 H04C 109.5 . . ?
H04B C04 H04C 109.5 . . ?
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
Cu O1 1.957(3) . ?
Cu O6 1.968(3) . ?
Cu O2 1.972(3) 3_665 ?
Cu O5 1.975(3) 3_665 ?
Cu O7 2.141(3) . ?
Cu Cu 2.6237(11) 3_665 ?
O1 C1 1.257(6) . ?
O2 C1 1.252(6) . ?
O2 Cu 1.972(3) 3_665 ?
O3 C7 1.362(6) . ?
O3 C8 1.420(6) . ?
O4 C19 1.360(6) . ?
O4 C18 1.446(6) . ?
O5 C25 1.267(6) . ?
O5 Cu 1.975(3) 3_665 ?
O6 C25 1.265(6) . ?
O7 C26 1.241(6) . ?
N1 C26 1.291(7) . ?
N1 C27 1.432(10) . ?
N1 C28 1.468(8) . ?
C1 C2 1.490(7) . ?
C2 C3 1.370(7) . ?
C2 C7 1.399(7) . ?
C3 C4 1.381(8) . ?
C3 H3A 0.9300 . ?
C4 C5 1.355(9) . ?
C4 H4A 0.9300 . ?
C5 C6 1.377(8) . ?
C5 H5A 0.9300 . ?
C6 C7 1.389(7) . ?
C6 H6A 0.9300 . ?
C8 C9 1.499(8) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.401(8) . ?
C9 C14 1.408(7) . ?
C14 C13 1.392(7) . ?
C14 C17 1.514(7) . ?
C13 C12 1.407(8) . ?
C13 C18 1.490(8) . ?
C12 C11 1.364(8) . ?
C12 C16 1.513(8) . ?
C11 C10 1.386(8) . ?
C11 H11A 0.9300 . ?
C10 C15 1.508(8) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.384(7) . ?
C19 C24 1.398(7) . ?
C20 C21 1.393(9) . ?
C20 H20A 0.9300 . ?
C21 C22 1.350(9) . ?
C21 H21A 0.9300 . ?
C22 C23 1.373(9) . ?
C22 H22A 0.9300 . ?
C23 C24 1.385(7) . ?
C23 H23A 0.9300 . ?
C24 C25 1.493(7) . ?
C26 H26A 0.9300 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
N01 C01 1.302(9) . ?
N01 C04 1.406(12) . ?
N01 C03 1.432(10) . ?
C01 O01 1.352(14) . ?
C01 H01A 0.9300 . ?
C03 H03A 0.9600 . ?
C03 H03B 0.9600 . ?
C03 H03C 0.9600 . ?
C04 H04A 0.9600 . ?
C04 H04B 0.9600 . ?
C04 H04C 0.9600 . ?
