#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:37:02 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179415 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/12/4331263.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_4331263
loop_
_publ_author_name
'Yan-Li Gai'
'Ke-Cai Xiong'
'Lian Chen'
'Yang Bu'
'Xing-Jun Li'
'Fei-Long Jiang'
'Mao-Chun Hong'
_publ_section_title
;
 Visible and NIR Photoluminescence Properties of a Series of Novel
 Lanthanide-Organic Coordination Polymers Based on
 Hydroxyquinoline-Carboxylate Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              13128
_journal_page_last               13137
_journal_paper_doi               10.1021/ic301261g
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C30 H26 Eu N3 O13'
_chemical_formula_weight         788.50
_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                 92.862(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.1224(18)
_cell_length_b                   25.352(4)
_cell_length_c                   9.7713(14)
_cell_measurement_reflns_used    9327
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.4778
_cell_measurement_theta_min      2.0869
_cell_volume                     2999.2(8)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  Saturn724+_(2x2_bin_mode)
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_source         'Sealed Tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0300
_diffrn_reflns_av_sigmaI/netI    0.0353
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            26071
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.63
_exptl_absorpt_coefficient_mu    2.166
_exptl_absorpt_correction_T_max  0.8125
_exptl_absorpt_correction_T_min  0.7370
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.746
_exptl_crystal_description       prism
_exptl_crystal_F_000             1576
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.150
_refine_diff_density_min         -0.459
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     441
_refine_ls_number_reflns         6809
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0235
_refine_ls_R_factor_gt           0.0205
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0229P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0486
_refine_ls_wR_factor_ref         0.0497
_reflns_number_gt                6047
_reflns_number_total             6809
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic301261g_si_002_01.cif
_cod_data_source_block           complex1_Eu
_cod_database_code               4331263
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
Eu1 Eu 0.460701(7) 0.926152(3) 0.604505(9) 0.00663(4) Uani 1 1 d .
O1 O 0.32036(11) 0.94138(5) 0.77121(14) 0.0102(3) Uani 1 1 d .
N1 N 0.35908(14) 0.87870(6) 1.15421(17) 0.0105(3) Uani 1 1 d .
C1 C 0.32688(16) 0.92315(7) 0.8940(2) 0.0093(4) Uani 1 1 d .
O2 O 0.46416(11) 1.00421(5) 1.24668(14) 0.0112(3) Uani 1 1 d .
N2 N 0.60599(14) 0.74205(7) 0.55241(17) 0.0142(4) Uani 1 1 d .
C2 C 0.28045(16) 0.87229(8) 0.9249(2) 0.0108(4) Uani 1 1 d .
O3 O 0.47027(12) 0.92612(5) 1.35799(14) 0.0107(3) Uani 1 1 d .
N3 N 0.83523(14) 0.99235(7) 0.36437(18) 0.0112(4) Uani 1 1 d .
C3 C 0.21856(17) 0.84238(8) 0.8260(2) 0.0140(4) Uani 1 1 d .
H3 H 0.2037 0.8566 0.7369 0.017 Uiso 1 1 calc R
O4 O 0.29148(11) 0.88347(6) 0.51495(15) 0.0138(3) Uani 1 1 d .
C4 C 0.17960(17) 0.79310(8) 0.8568(2) 0.0157(4) Uani 1 1 d .
H4 H 0.1374 0.7736 0.7895 0.019 Uiso 1 1 calc R
O5 O 0.50758(11) 0.83575(5) 0.53843(14) 0.0129(3) Uani 1 1 d .
C5 C 0.20206(18) 0.77145(8) 0.9877(2) 0.0183(5) Uani 1 1 d .
H5 H 0.1757 0.7372 1.0080 0.022 Uiso 1 1 calc R
O6 O 0.38820(11) 0.80845(5) 0.36996(14) 0.0137(3) Uani 1 1 d .
C6 C 0.26164(17) 0.79926(8) 1.0866(2) 0.0151(4) Uani 1 1 d .
H6 H 0.2767 0.7843 1.1747 0.018 Uiso 1 1 calc R
O7 O 0.51599(12) 0.62107(5) 0.29600(14) 0.0129(3) Uani 1 1 d .
C7 C 0.30032(16) 0.85008(8) 1.0564(2) 0.0115(4) Uani 1 1 d .
O8 O 0.66180(11) 0.92157(5) 0.57988(15) 0.0113(3) Uani 1 1 d .
C8 C 0.44873(16) 0.95548(8) 1.2565(2) 0.0094(4) Uani 1 1 d .
O9 O 0.63885(11) 0.99882(5) 0.47549(14) 0.0110(3) Uani 1 1 d .
C9 C 0.39457(16) 0.92827(7) 1.1314(2) 0.0100(4) Uani 1 1 d .
O10 O 1.06764(11) 0.88532(6) 0.50235(15) 0.0163(3) Uani 1 1 d .
C10 C 0.37900(16) 0.95096(8) 1.0047(2) 0.0101(4) Uani 1 1 d .
H10 H 0.4037 0.9860 0.9910 0.012 Uiso 1 1 calc R
O11 O 0.95508(13) 0.79615(7) 0.60689(16) 0.0249(4) Uani 1 1 d .
C11 C 0.54326(16) 0.65916(8) 0.3751(2) 0.0118(4) Uani 1 1 d .
O12 O 0.73894(13) 0.82082(6) 0.68730(16) 0.0192(3) Uani 1 1 d .
C12 C 0.62796(17) 0.65183(8) 0.4830(2) 0.0141(4) Uani 1 1 d .
O13 O -0.09222(17) 0.77684(9) 0.8948(2) 0.0458(5) Uani 1 1 d .
C13 C 0.68126(19) 0.60284(9) 0.5021(2) 0.0210(5) Uani 1 1 d .
H13 H 0.6605 0.5738 0.4451 0.025 Uiso 1 1 calc R
C14 C 0.7636(2) 0.59703(10) 0.6037(3) 0.0313(6) Uani 1 1 d .
H14 H 0.7998 0.5640 0.6161 0.038 Uiso 1 1 calc R
C15 C 0.7941(2) 0.63991(10) 0.6888(3) 0.0343(7) Uani 1 1 d .
H15 H 0.8518 0.6357 0.7574 0.041 Uiso 1 1 calc R
C16 C 0.7419(2) 0.68775(9) 0.6744(3) 0.0286(6) Uani 1 1 d .
H16 H 0.7618 0.7163 0.7336 0.034 Uiso 1 1 calc R
C17 C 0.65849(18) 0.69387(8) 0.5706(2) 0.0165(5) Uani 1 1 d .
C18 C 0.46987(16) 0.80278(8) 0.4529(2) 0.0108(4) Uani 1 1 d .
C19 C 0.52512(16) 0.74909(8) 0.4545(2) 0.0109(4) Uani 1 1 d .
C20 C 0.49291(17) 0.70964(8) 0.3655(2) 0.0120(4) Uani 1 1 d .
H20 H 0.4364 0.7161 0.2967 0.014 Uiso 1 1 calc R
C21 C 0.99669(17) 0.91882(8) 0.4583(2) 0.0121(4) Uani 1 1 d .
C22 C 1.01901(16) 0.95708(8) 0.3513(2) 0.0119(4) Uani 1 1 d .
C23 C 1.12247(17) 0.95970(9) 0.2901(2) 0.0161(4) Uani 1 1 d .
H23 H 1.1791 0.9353 0.3167 0.019 Uiso 1 1 calc R
C24 C 1.14137(18) 0.99709(9) 0.1928(2) 0.0198(5) Uani 1 1 d .
H24 H 1.2109 0.9984 0.1523 0.024 Uiso 1 1 calc R
C25 C 1.05883(18) 1.03349(9) 0.1525(2) 0.0199(5) Uani 1 1 d .
H25 H 1.0737 1.0596 0.0862 0.024 Uiso 1 1 calc R
C26 C 0.95728(17) 1.03181(8) 0.2074(2) 0.0153(4) Uani 1 1 d .
H26 H 0.9011 1.0560 0.1782 0.018 Uiso 1 1 calc R
C27 C 0.93713(16) 0.99351(8) 0.3081(2) 0.0115(4) Uani 1 1 d .
C28 C 0.69532(16) 0.95913(7) 0.5096(2) 0.0092(4) Uani 1 1 d .
C29 C 0.81183(16) 0.95678(8) 0.4615(2) 0.0101(4) Uani 1 1 d .
C30 C 0.88825(17) 0.92095(8) 0.5095(2) 0.0123(4) Uani 1 1 d .
H30 H 0.8690 0.8968 0.5787 0.015 Uiso 1 1 calc R
H1A H 0.3709 0.8640 1.2338 0.027(7) Uiso 1 1 d R
H4A H 0.2230 0.8884 0.5106 0.021(7) Uiso 1 1 d R
H3A H 0.7819(19) 1.0122(9) 0.333(2) 0.020(7) Uiso 1 1 d .
H2A H 0.6224(11) 0.7720(5) 0.6085(12) 0.040(8) Uiso 1 1 d .
H4B H 0.3050 0.8596 0.4642 0.030(8) Uiso 1 1 d R
H11A H 0.9405 0.7811 0.5221 0.051(10) Uiso 1 1 d R
H12B H 0.8010 0.8177 0.6494 0.065(11) Uiso 1 1 d R
H11B H 0.9981 0.8251 0.5771 0.104(15) Uiso 1 1 d R
H12A H 0.7046 0.8520 0.6581 0.078(12) Uiso 1 1 d R
H13A H -0.0585 0.7838 0.8104 0.21(3) Uiso 1 1 d R
H13B H -0.1673 0.7971 0.8863 0.41(6) Uiso 1 1 d R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O7 Eu1 O9 144.41(5) 4_576 3_676
O7 Eu1 O3 141.84(5) 4_576 1_554
O9 Eu1 O3 73.74(4) 3_676 1_554
O7 Eu1 O2 78.80(5) 4_576 3_677
O9 Eu1 O2 77.51(5) 3_676 3_677
O3 Eu1 O2 124.07(4) 1_554 3_677
O7 Eu1 O4 105.49(5) 4_576 .
O9 Eu1 O4 80.34(5) 3_676 .
O3 Eu1 O4 73.98(5) 1_554 .
O2 Eu1 O4 144.85(5) 3_677 .
O7 Eu1 O1 73.95(5) 4_576 .
O9 Eu1 O1 74.48(5) 3_676 .
O3 Eu1 O1 137.21(5) 1_554 .
O2 Eu1 O1 74.90(5) 3_677 .
O4 Eu1 O1 73.06(5) . .
O7 Eu1 O5 70.44(5) 4_576 .
O9 Eu1 O5 141.71(5) 3_676 .
O3 Eu1 O5 73.41(4) 1_554 .
O2 Eu1 O5 138.52(5) 3_677 .
O4 Eu1 O5 72.15(5) . .
O1 Eu1 O5 120.04(5) . .
O7 Eu1 O8 78.74(5) 4_576 .
O9 Eu1 O8 119.78(4) 3_676 .
O3 Eu1 O8 78.80(5) 1_554 .
O2 Eu1 O8 75.53(5) 3_677 .
O4 Eu1 O8 139.59(5) . .
O1 Eu1 O8 142.89(5) . .
O5 Eu1 O8 71.78(4) . .
O7 Eu1 C28 98.48(5) 4_576 .
O9 Eu1 C28 98.21(5) 3_676 .
O3 Eu1 C28 67.52(5) 1_554 .
O2 Eu1 C28 70.54(5) 3_677 .
O4 Eu1 C28 140.10(5) . .
O1 Eu1 C28 145.43(5) . .
O5 Eu1 C28 86.91(5) . .
O8 Eu1 C28 21.74(5) . .
O7 Eu1 O9 116.98(4) 4_576 .
O9 Eu1 O9 75.29(5) 3_676 .
O3 Eu1 O9 62.18(4) 1_554 .
O2 Eu1 O9 64.62(4) 3_677 .
O4 Eu1 O9 134.12(4) . .
O1 Eu1 O9 133.50(4) . .
O5 Eu1 O9 105.57(4) . .
O8 Eu1 O9 44.52(4) . .
C28 Eu1 O9 22.95(4) . .
O7 Eu1 Eu1 139.74(4) 4_576 3_676
O9 Eu1 Eu1 43.91(3) 3_676 3_676
O3 Eu1 Eu1 60.96(3) 1_554 3_676
O2 Eu1 Eu1 64.93(3) 3_677 3_676
O4 Eu1 Eu1 114.14(3) . 3_676
O1 Eu1 Eu1 110.46(3) . 3_676
O5 Eu1 Eu1 127.95(3) . 3_676
O8 Eu1 Eu1 75.89(3) . 3_676
C28 Eu1 Eu1 54.31(4) . 3_676
O9 Eu1 Eu1 31.38(2) . 3_676
C1 O1 Eu1 123.59(12) . .
C9 N1 C7 122.43(18) . .
C9 N1 H1A 120.5 . .
C7 N1 H1A 117.0 . .
O1 C1 C10 122.65(18) . .
O1 C1 C2 120.63(18) . .
C10 C1 C2 116.72(18) . .
C8 O2 Eu1 136.18(13) . 3_677
C19 N2 C17 121.44(17) . .
C19 N2 H2A 115.3(8) . .
C17 N2 H2A 123.3(8) . .
C7 C2 C3 117.94(18) . .
C7 C2 C1 119.66(18) . .
C3 C2 C1 122.35(18) . .
C8 O3 Eu1 140.14(12) . 1_556
C29 N3 C27 121.28(18) . .
C29 N3 H3A 117.5(16) . .
C27 N3 H3A 121.0(16) . .
C4 C3 C2 120.9(2) . .
C4 C3 H3 119.5 . .
C2 C3 H3 119.5 . .
Eu1 O4 H4A 139.8 . .
Eu1 O4 H4B 111.1 . .
H4A O4 H4B 108.2 . .
C3 C4 C5 120.1(2) . .
C3 C4 H4 120.0 . .
C5 C4 H4 120.0 . .
C18 O5 Eu1 135.81(13) . .
C6 C5 C4 120.7(2) . .
C6 C5 H5 119.6 . .
C4 C5 H5 119.6 . .
C5 C6 C7 119.5(2) . .
C5 C6 H6 120.3 . .
C7 C6 H6 120.3 . .
C11 O7 Eu1 161.80(13) . 4_575
N1 C7 C6 120.35(19) . .
N1 C7 C2 118.84(18) . .
C6 C7 C2 120.80(18) . .
C28 O8 Eu1 111.53(12) . .
O2 C8 O3 128.16(19) . .
O2 C8 C9 116.41(17) . .
O3 C8 C9 115.41(17) . .
C28 O9 Eu1 175.69(13) . 3_676
C28 O9 Eu1 78.47(11) . .
Eu1 O9 Eu1 104.71(5) 3_676 .
N1 C9 C10 120.60(18) . .
N1 C9 C8 114.66(17) . .
C10 C9 C8 124.72(17) . .
C9 C10 C1 121.22(18) . .
C9 C10 H10 119.4 . .
C1 C10 H10 119.4 . .
H11A O11 H11B 97.3 . .
O7 C11 C20 123.18(18) . .
O7 C11 C12 119.97(18) . .
C20 C11 C12 116.85(18) . .
H12B O12 H12A 109.5 . .
C17 C12 C13 118.88(19) . .
C17 C12 C11 120.16(19) . .
C13 C12 C11 120.96(19) . .
H13A O13 H13B 104.4 . .
C14 C13 C12 120.0(2) . .
C14 C13 H13 120.0 . .
C12 C13 H13 120.0 . .
C13 C14 C15 120.1(2) . .
C13 C14 H14 119.9 . .
C15 C14 H14 119.9 . .
C16 C15 C14 121.0(2) . .
C16 C15 H15 119.5 . .
C14 C15 H15 119.5 . .
C15 C16 C17 119.0(2) . .
C15 C16 H16 120.5 . .
C17 C16 H16 120.5 . .
N2 C17 C16 120.00(19) . .
N2 C17 C12 119.05(18) . .
C16 C17 C12 121.0(2) . .
O5 C18 O6 127.15(19) . .
O5 C18 C19 116.49(17) . .
O6 C18 C19 116.28(17) . .
N2 C19 C20 121.92(19) . .
N2 C19 C18 115.55(17) . .
C20 C19 C18 122.49(18) . .
C19 C20 C11 120.57(19) . .
C19 C20 H20 119.7 . .
C11 C20 H20 119.7 . .
O10 C21 C30 121.72(19) . .
O10 C21 C22 122.72(18) . .
C30 C21 C22 115.55(18) . .
C27 C22 C23 117.95(19) . .
C27 C22 C21 119.87(18) . .
C23 C22 C21 122.16(18) . .
C24 C23 C22 120.5(2) . .
C24 C23 H23 119.8 . .
C22 C23 H23 119.8 . .
C23 C24 C25 120.6(2) . .
C23 C24 H24 119.7 . .
C25 C24 H24 119.7 . .
C26 C25 C24 120.8(2) . .
C26 C25 H25 119.6 . .
C24 C25 H25 119.6 . .
C25 C26 C27 119.00(19) . .
C25 C26 H26 120.5 . .
C27 C26 H26 120.5 . .
N3 C27 C22 120.00(18) . .
N3 C27 C26 118.86(18) . .
C22 C27 C26 121.14(18) . .
O9 C28 O8 124.63(18) . .
O9 C28 C29 117.08(17) . .
O8 C28 C29 118.29(17) . .
O9 C28 Eu1 78.58(11) . .
O8 C28 Eu1 46.73(9) . .
C29 C28 Eu1 162.34(13) . .
N3 C29 C30 121.60(18) . .
N3 C29 C28 115.14(17) . .
C30 C29 C28 123.25(18) . .
C29 C30 C21 121.67(19) . .
C29 C30 H30 119.2 . .
C21 C30 H30 119.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O7 2.2931(14) 4_576
Eu1 O9 2.3645(13) 3_676
Eu1 O3 2.4174(14) 1_554
Eu1 O2 2.4348(13) 3_677
Eu1 O4 2.4424(14) .
Eu1 O1 2.4440(14) .
Eu1 O5 2.4555(14) .
Eu1 O8 2.4643(14) .
Eu1 C28 3.148(2) .
Eu1 O9 3.1495(14) .
O1 C1 1.285(2) .
N1 C9 1.351(2) .
N1 C7 1.371(2) .
N1 H1A 0.8676 .
C1 C10 1.413(3) .
C1 C2 1.444(3) .
O2 C8 1.254(2) .
O2 Eu1 2.4348(13) 3_677
N2 C19 1.347(3) .
N2 C17 1.385(3) .
N2 H2A 0.953(12) .
C2 C7 1.413(3) .
C2 C3 1.414(3) .
O3 C8 1.257(2) .
O3 Eu1 2.4173(14) 1_556
N3 C29 1.349(3) .
N3 C27 1.377(3) .
N3 H3A 0.86(2) .
C3 C4 1.374(3) .
C3 H3 0.9500 .
O4 H4A 0.8390 .
O4 H4B 0.8040 .
C4 C5 1.406(3) .
C4 H4 0.9500 .
O5 C18 1.252(2) .
C5 C6 1.372(3) .
C5 H5 0.9500 .
O6 C18 1.256(2) .
C6 C7 1.407(3) .
C6 H6 0.9500 .
O7 C11 1.270(2) .
O7 Eu1 2.2931(14) 4_575
O8 C28 1.253(2) .
C8 C9 1.523(3) .
O9 C28 1.253(2) .
O9 Eu1 2.3645(13) 3_676
C9 C10 1.370(3) .
O10 C21 1.269(2) .
C10 H10 0.9500 .
O11 H11A 0.9216 .
O11 H11B 0.9544 .
C11 C20 1.419(3) .
C11 C12 1.446(3) .
O12 H12B 0.8586 .
O12 H12A 0.9320 .
C12 C17 1.405(3) .
C12 C13 1.408(3) .
O13 H13A 0.9552 .
O13 H13B 1.0451 .
C13 C14 1.380(3) .
C13 H13 0.9500 .
C14 C15 1.407(4) .
C14 H14 0.9500 .
C15 C16 1.372(3) .
C15 H15 0.9500 .
C16 C17 1.404(3) .
C16 H16 0.9500 .
C18 C19 1.517(3) .
C19 C20 1.369(3) .
C20 H20 0.9500 .
C21 C30 1.431(3) .
C21 C22 1.461(3) .
C22 C27 1.405(3) .
C22 C23 1.418(3) .
C23 C24 1.370(3) .
C23 H23 0.9500 .
C24 C25 1.403(3) .
C24 H24 0.9500 .
C25 C26 1.368(3) .
C25 H25 0.9500 .
C26 C27 1.413(3) .
C26 H26 0.9500 .
C28 C29 1.512(3) .
C29 C30 1.364(3) .
C30 H30 0.9500 .
