#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/89/2238914.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2238914
loop_
_publ_author_name
'Chen, Juan'
_publ_section_title
;
 Bis{μ₄-N-[phenyl(pyridin-2-ylazanidyl)methyl]pyridin-2-aminido}tetrakis(tetrahydrofuran)tetralithium
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m683
_journal_paper_doi               10.1107/S1600536813031838
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Li4 (C17 H14 N4)2 (C4 H8 O)4]'
_chemical_formula_moiety         'C50 H60 Li4 N8 O4'
_chemical_formula_sum            'C50 H60 Li4 N8 O4'
_chemical_formula_weight         864.82
_chemical_melting_point_gt       413
_chemical_melting_point_lt       415
_chemical_name_systematic
Bis{μ₄-N-[phenyl(pyridin-2-ylazanidyl)methyl]pyridin-2-aminido}tetrakis(tetrahydrofuran)tetralithium
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                111.021(2)
_cell_angle_beta                 105.355(2)
_cell_angle_gamma                100.763(2)
_cell_formula_units_Z            1
_cell_length_a                   10.3322(10)
_cell_length_b                   11.2231(11)
_cell_length_c                   12.4813(12)
_cell_measurement_reflns_used    2019
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      23.275
_cell_measurement_theta_min      2.131
_cell_volume                     1237.3(2)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART CCD'
_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  0.0357
_diffrn_reflns_av_sigmaI/netI    0.0596
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6796
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         1.87
_diffrn_standards_decay_%        2.30
_exptl_absorpt_coefficient_mu    0.073
_exptl_absorpt_correction_T_max  0.9891
_exptl_absorpt_correction_T_min  0.9855
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.161
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             460
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.369
_refine_diff_density_min         -0.241
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.925
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4339
_refine_ls_number_restraints     61
_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.1281
_refine_ls_R_factor_gt           0.0725
_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)+(0.1525P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2108
_refine_ls_wR_factor_ref         0.2434
_reflns_number_gt                2180
_reflns_number_total             4339
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            rk2418.cif
_cod_data_source_block           I
_cod_database_code               2238914
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
Li Li1 0.1027(6) 0.4551(5) 1.0323(5) 0.0634(14) Uani d . 1 1
Li Li2 -0.1558(7) 0.4565(6) 0.7296(5) 0.0719(16) Uani d . 1 1
N N1 0.1316(3) 0.6518(2) 1.0415(2) 0.0507(6) Uani d . 1 1
N N2 -0.0351(2) 0.6392(2) 0.8668(2) 0.0535(7) Uani d . 1 1
N N3 0.2796(3) 0.6487(3) 1.2128(2) 0.0667(8) Uani d . 1 1
N N4 -0.2221(3) 0.6071(3) 0.7043(3) 0.0714(8) Uani d . 1 1
C C1 0.1048(3) 0.7175(3) 0.9599(3) 0.0512(8) Uani d . 1 1
H H1A 0.1048 0.8086 1.0070 0.061 Uiso calc R 1 1
C C2 0.2139(3) 0.7251(3) 0.8981(3) 0.0579(8) Uani d . 1 1
C C3 0.2904(4) 0.8443(4) 0.9055(4) 0.0795(11) Uani d . 1 1
H H3 0.2775 0.9239 0.9518 0.095 Uiso calc R 1 1
C C4 0.3849(5) 0.8494(6) 0.8466(5) 0.1126(17) Uani d . 1 1
H H4 0.4342 0.9311 0.8523 0.135 Uiso calc R 1 1
C C5 0.4057(6) 0.7349(8) 0.7805(6) 0.131(2) Uani d . 1 1
H H5 0.4705 0.7379 0.7415 0.157 Uiso calc R 1 1
C C6 0.3321(6) 0.6141(6) 0.7703(5) 0.1191(17) Uani d . 1 1
H H6 0.3464 0.5356 0.7234 0.143 Uiso calc R 1 1
C C7 0.2354(4) 0.6077(4) 0.8299(4) 0.0845(11) Uani d . 1 1
H H7 0.1863 0.5256 0.8238 0.101 Uiso calc R 1 1
C C8 0.2470(3) 0.7188(3) 1.1439(3) 0.0514(8) Uani d . 1 1
C C9 0.3386(3) 0.8526(3) 1.1891(3) 0.0622(9) Uani d . 1 1
H H9 0.3176 0.9039 1.1466 0.075 Uiso calc R 1 1
C C10 0.4549(4) 0.9057(4) 1.2924(3) 0.0849(12) Uani d . 1 1
H H10 0.5125 0.9932 1.3207 0.102 Uiso calc R 1 1
C C11 0.4887(5) 0.8315(5) 1.3556(4) 0.1027(15) Uani d . 1 1
H H11 0.5699 0.8661 1.4256 0.123 Uiso calc R 1 1
C C12 0.3998(4) 0.7060(4) 1.3127(4) 0.0876(12) Uani d . 1 1
H H12 0.4233 0.6554 1.3554 0.105 Uiso calc R 1 1
C C13 -0.1040(3) 0.6970(3) 0.8038(3) 0.0526(8) Uani d . 1 1
C C14 -0.0715(4) 0.8342(3) 0.8263(3) 0.0633(9) Uani d . 1 1
H H14 0.0104 0.8966 0.8904 0.076 Uiso calc R 1 1
C C15 -0.1585(4) 0.8755(4) 0.7552(4) 0.0778(11) Uani d . 1 1
H H15 -0.1373 0.9661 0.7722 0.093 Uiso calc R 1 1
C C16 -0.2783(4) 0.7838(5) 0.6580(4) 0.0926(13) Uani d . 1 1
H H16 -0.3396 0.8106 0.6089 0.111 Uiso calc R 1 1
C C17 -0.3032(4) 0.6530(4) 0.6367(4) 0.0869(13) Uani d . 1 1
H H17 -0.3829 0.5906 0.5700 0.104 Uiso calc R 1 1
C C18 0.1501(7) 0.2098(6) 0.8819(7) 0.183(3) Uani d U 1 1
H H18A 0.1227 0.1720 0.9344 0.220 Uiso calc R 1 1
H H18B 0.0681 0.1811 0.8082 0.220 Uiso calc R 1 1
C C19 0.2581(9) 0.1655(7) 0.8507(9) 0.195(3) Uani d U 1 1
H H19A 0.2663 0.0902 0.8699 0.234 Uiso calc R 1 1
H H19B 0.2384 0.1368 0.7633 0.234 Uiso calc R 1 1
C C20 0.3791(8) 0.2697(8) 0.9169(9) 0.223(4) Uani d U 1 1
H H20A 0.4211 0.2913 0.8626 0.268 Uiso calc R 1 1
H H20B 0.4465 0.2473 0.9710 0.268 Uiso calc R 1 1
C C21 0.3420(6) 0.3833(7) 0.9886(7) 0.180(3) Uani d U 1 1
H H21A 0.3758 0.4013 1.0749 0.216 Uiso calc R 1 1
H H21B 0.3845 0.4630 0.9810 0.216 Uiso calc R 1 1
O O1 0.1996(3) 0.3504(3) 0.9441(3) 0.0881(9) Uani d U 1 1
C C22 -0.1386(12) 0.1945(8) 0.5649(9) 0.231(4) Uani d U 1 1
H H22A -0.2398 0.1501 0.5322 0.277 Uiso calc R 1 1
H H22B -0.0961 0.1731 0.6320 0.277 Uiso calc R 1 1
C C23 -0.0822(14) 0.1475(9) 0.4711(11) 0.264(4) Uani d DU 1 1
H H23A -0.0064 0.1126 0.4966 0.317 Uiso calc R 1 1
H H23B -0.1547 0.0782 0.3953 0.317 Uiso calc R 1 1
C C24 -0.0334(14) 0.2597(12) 0.4575(11) 0.279(4) Uani d DU 1 1
H H24A -0.0746 0.2419 0.3717 0.334 Uiso calc R 1 1
H H24B 0.0683 0.2821 0.4797 0.334 Uiso calc R 1 1
C C25 -0.0648(11) 0.3669(9) 0.5286(8) 0.230(4) Uani d U 1 1
H H25A 0.0187 0.4455 0.5738 0.276 Uiso calc R 1 1
H H25B -0.1372 0.3878 0.4776 0.276 Uiso calc R 1 1
O O2 -0.1117(4) 0.3306(3) 0.6075(3) 0.1187(12) Uani d U 1 1
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'
Li Li -0.0003 0.0001 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O1 Li1 N2 . 2_567 107.8(3)
O1 Li1 N1 . . 116.0(3)
N2 Li1 N1 2_567 . 134.1(3)
O1 Li1 N1 . 2_567 112.1(3)
N2 Li1 N1 2_567 2_567 64.89(18)
N1 Li1 N1 . 2_567 108.0(2)
O1 Li1 N3 . . 108.2(3)
N2 Li1 N3 2_567 . 94.7(2)
N1 Li1 N3 . . 59.72(16)
N1 Li1 N3 2_567 . 138.7(3)
O1 Li1 Li1 . 2_567 133.7(4)
N2 Li1 Li1 2_567 2_567 101.7(3)
N1 Li1 Li1 . 2_567 56.3(2)
N1 Li1 Li1 2_567 2_567 51.7(2)
N3 Li1 Li1 . 2_567 104.0(3)
O1 Li1 Li2 . 2_567 125.5(3)
N2 Li1 Li2 2_567 2_567 49.08(19)
N1 Li1 Li2 . 2_567 92.4(2)
N1 Li1 Li2 2_567 2_567 100.1(3)
N3 Li1 Li2 . 2_567 46.73(17)
Li1 Li1 Li2 2_567 2_567 100.8(3)
O1 Li1 C1 . 2_567 106.6(2)
N2 Li1 C1 2_567 2_567 33.02(12)
N1 Li1 C1 . 2_567 133.0(3)
N1 Li1 C1 2_567 2_567 33.27(11)
N3 Li1 C1 . 2_567 124.3(2)
Li1 Li1 C1 2_567 2_567 80.3(3)
Li2 Li1 C1 2_567 2_567 77.7(2)
O1 Li1 C8 . . 111.9(3)
N2 Li1 C8 2_567 . 119.9(3)
N1 Li1 C8 . . 29.44(11)
N1 Li1 C8 2_567 . 130.5(2)
N3 Li1 C8 . . 30.74(11)
Li1 Li1 C8 2_567 . 81.4(2)
Li2 Li1 C8 2_567 . 71.15(19)
C1 Li1 C8 2_567 . 139.8(2)
O2 Li2 N3 . 2_567 107.2(3)
O2 Li2 N2 . . 130.7(4)
N3 Li2 N2 2_567 . 111.3(3)
O2 Li2 N4 . . 121.6(3)
N3 Li2 N4 2_567 . 113.6(3)
N2 Li2 N4 . . 67.9(2)
O2 Li2 C13 . . 131.3(3)
N3 Li2 C13 2_567 . 121.3(3)
N2 Li2 C13 . . 33.59(13)
N4 Li2 C13 . . 34.67(14)
O2 Li2 C12 . 2_567 95.7(3)
N3 Li2 C12 2_567 2_567 30.49(14)
N2 Li2 C12 . 2_567 132.5(3)
N4 Li2 C12 . 2_567 98.8(3)
C13 Li2 C12 . 2_567 123.6(3)
O2 Li2 Li1 . 2_567 138.0(3)
N3 Li2 Li1 2_567 2_567 61.6(2)
N2 Li2 Li1 . 2_567 51.15(18)
N4 Li2 Li1 . 2_567 98.5(3)
C13 Li2 Li1 . 2_567 75.6(2)
C12 Li2 Li1 2_567 2_567 89.3(2)
C8 N1 C1 . . 115.8(2)
C8 N1 Li1 . . 99.1(2)
C1 N1 Li1 . . 139.7(2)
C8 N1 Li1 . 2_567 144.3(2)
C1 N1 Li1 . 2_567 88.6(2)
Li1 N1 Li1 . 2_567 72.0(2)
C13 N2 C1 . . 118.7(2)
C13 N2 Li2 . . 89.6(2)
C1 N2 Li2 . . 144.8(3)
C13 N2 Li1 . 2_567 128.5(2)
C1 N2 Li1 . 2_567 95.7(2)
Li2 N2 Li1 . 2_567 79.8(2)
C12 N3 C8 . . 118.5(3)
C12 N3 Li2 . 2_567 100.0(3)
C8 N3 Li2 . 2_567 130.2(3)
C12 N3 Li1 . . 152.4(3)
C8 N3 Li1 . . 84.5(2)
Li2 N3 Li1 2_567 . 71.6(2)
C17 N4 C13 . . 118.9(3)
C17 N4 Li2 . . 151.9(3)
C13 N4 Li2 . . 88.1(2)
N2 C1 N1 . . 106.5(2)
N2 C1 C2 . . 109.9(2)
N1 C1 C2 . . 112.9(2)
N2 C1 Li1 . 2_567 51.31(18)
N1 C1 Li1 . 2_567 58.11(18)
C2 C1 Li1 . 2_567 142.4(2)
N2 C1 H1A . . 109.2
N1 C1 H1A . . 109.2
C2 C1 H1A . . 109.2
Li1 C1 H1A 2_567 . 108.0
C3 C2 C7 . . 118.2(3)
C3 C2 C1 . . 122.7(3)
C7 C2 C1 . . 119.1(3)
C4 C3 C2 . . 122.2(4)
C4 C3 H3 . . 118.9
C2 C3 H3 . . 118.9
C5 C4 C3 . . 119.3(5)
C5 C4 H4 . . 120.3
C3 C4 H4 . . 120.3
C4 C5 C6 . . 120.6(5)
C4 C5 H5 . . 119.7
C6 C5 H5 . . 119.7
C5 C6 C7 . . 120.5(5)
C5 C6 H6 . . 119.7
C7 C6 H6 . . 119.7
C2 C7 C6 . . 119.1(4)
C2 C7 H7 . . 120.5
C6 C7 H7 . . 120.5
N1 C8 N3 . . 115.0(3)
N1 C8 C9 . . 127.9(3)
N3 C8 C9 . . 117.2(3)
N1 C8 Li1 . . 51.44(18)
N3 C8 Li1 . . 64.8(2)
C9 C8 Li1 . . 169.4(3)
C10 C9 C8 . . 121.2(3)
C10 C9 H9 . . 119.4
C8 C9 H9 . . 119.4
C9 C10 C11 . . 120.4(3)
C9 C10 H10 . . 119.8
C11 C10 H10 . . 119.8
C12 C11 C10 . . 117.6(4)
C12 C11 H11 . . 121.2
C10 C11 H11 . . 121.2
N3 C12 C11 . . 124.9(4)
N3 C12 Li2 . 2_567 49.5(2)
C11 C12 Li2 . 2_567 150.8(4)
N3 C12 H12 . . 117.5
C11 C12 H12 . . 117.5
Li2 C12 H12 2_567 . 76.1
N2 C13 N4 . . 113.1(3)
N2 C13 C14 . . 129.1(3)
N4 C13 C14 . . 117.8(3)
N2 C13 Li2 . . 56.8(2)
N4 C13 Li2 . . 57.2(2)
C14 C13 Li2 . . 169.5(3)
C15 C14 C13 . . 120.7(3)
C15 C14 H14 . . 119.7
C13 C14 H14 . . 119.7
C14 C15 C16 . . 120.3(4)
C14 C15 H15 . . 119.9
C16 C15 H15 . . 119.9
C17 C16 C15 . . 117.3(3)
C17 C16 H16 . . 121.3
C15 C16 H16 . . 121.3
N4 C17 C16 . . 124.9(4)
N4 C17 H17 . . 117.5
C16 C17 H17 . . 117.5
C19 C18 O1 . . 108.4(5)
C19 C18 H18A . . 110.0
O1 C18 H18A . . 110.0
C19 C18 H18B . . 110.0
O1 C18 H18B . . 110.0
H18A C18 H18B . . 108.4
C20 C19 C18 . . 107.3(6)
C20 C19 H19A . . 110.3
C18 C19 H19A . . 110.3
C20 C19 H19B . . 110.3
C18 C19 H19B . . 110.3
H19A C19 H19B . . 108.5
C19 C20 C21 . . 106.9(6)
C19 C20 H20A . . 110.3
C21 C20 H20A . . 110.3
C19 C20 H20B . . 110.3
C21 C20 H20B . . 110.3
H20A C20 H20B . . 108.6
O1 C21 C20 . . 107.3(5)
O1 C21 H21A . . 110.3
C20 C21 H21A . . 110.3
O1 C21 H21B . . 110.3
C20 C21 H21B . . 110.3
H21A C21 H21B . . 108.5
C21 O1 C18 . . 105.4(4)
C21 O1 Li1 . . 121.2(4)
C18 O1 Li1 . . 123.5(3)
O2 C22 C23 . . 109.8(8)
O2 C22 H22A . . 109.7
C23 C22 H22A . . 109.7
O2 C22 H22B . . 109.7
C23 C22 H22B . . 109.7
H22A C22 H22B . . 108.2
C24 C23 C22 . . 102.6(9)
C24 C23 H23A . . 111.2
C22 C23 H23A . . 111.2
C24 C23 H23B . . 111.2
C22 C23 H23B . . 111.2
H23A C23 H23B . . 109.2
C23 C24 C25 . . 112.4(10)
C23 C24 H24A . . 109.1
C25 C24 H24A . . 109.1
C23 C24 H24B . . 109.1
C25 C24 H24B . . 109.1
H24A C24 H24B . . 107.9
O2 C25 C24 . . 106.5(8)
O2 C25 H25A . . 110.4
C24 C25 H25A . . 110.4
O2 C25 H25B . . 110.4
C24 C25 H25B . . 110.4
H25A C25 H25B . . 108.6
C25 O2 C22 . . 106.9(6)
C25 O2 Li2 . . 119.8(5)
C22 O2 Li2 . . 132.3(5)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Li1 O1 . 1.921(6)
Li1 N2 2_567 2.084(6)
Li1 N1 . 2.128(6)
Li1 N1 2_567 2.256(6)
Li1 N3 . 2.441(6)
Li1 Li1 2_567 2.578(10)
Li1 Li2 2_567 2.633(8)
Li1 C1 2_567 2.656(6)
Li1 C8 . 2.686(6)
Li2 O2 . 1.895(7)
Li2 N3 2_567 2.020(7)
Li2 N2 . 2.022(6)
Li2 N4 . 2.032(7)
Li2 C13 . 2.415(6)
Li2 C12 2_567 2.617(7)
Li2 Li1 2_567 2.633(8)
N1 C8 . 1.337(4)
N1 C1 . 1.458(4)
N1 Li1 2_567 2.256(6)
N2 C13 . 1.336(4)
N2 C1 . 1.455(4)
N2 Li1 2_567 2.084(6)
N3 C12 . 1.349(4)
N3 C8 . 1.379(4)
N3 Li2 2_567 2.020(7)
N4 C17 . 1.333(4)
N4 C13 . 1.374(4)
C1 C2 . 1.531(4)
C1 Li1 2_567 2.656(6)
C1 H1A . 0.9800
C2 C3 . 1.378(5)
C2 C7 . 1.384(5)
C3 C4 . 1.374(6)
C3 H3 . 0.9300
C4 C5 . 1.347(8)
C4 H4 . 0.9300
C5 C6 . 1.369(8)
C5 H5 . 0.9300
C6 C7 . 1.400(6)
C6 H6 . 0.9300
C7 H7 . 0.9300
C8 C9 . 1.430(4)
C9 C10 . 1.350(5)
C9 H9 . 0.9300
C10 C11 . 1.368(5)
C10 H10 . 0.9300
C11 C12 . 1.352(5)
C11 H11 . 0.9300
C12 Li2 2_567 2.617(7)
C12 H12 . 0.9300
C13 C14 . 1.418(4)
C14 C15 . 1.356(5)
C14 H14 . 0.9300
C15 C16 . 1.377(5)
C15 H15 . 0.9300
C16 C17 . 1.354(5)
C16 H16 . 0.9300
C17 H17 . 0.9300
C18 C19 . 1.393(9)
C18 O1 . 1.402(6)
C18 H18A . 0.9700
C18 H18B . 0.9700
C19 C20 . 1.352(9)
C19 H19A . 0.9700
C19 H19B . 0.9700
C20 C21 . 1.455(8)
C20 H20A . 0.9700
C20 H20B . 0.9700
C21 O1 . 1.351(5)
C21 H21A . 0.9700
C21 H21B . 0.9700
C22 O2 . 1.369(8)
C22 C23 . 1.422(12)
C22 H22A . 0.9700
C22 H22B . 0.9700
C23 C24 . 1.352(11)
C23 H23A . 0.9700
C23 H23B . 0.9700
C24 C25 . 1.368(11)
C24 H24A . 0.9700
C24 H24B . 0.9700
C25 O2 . 1.355(7)
C25 H25A . 0.9700
C25 H25B . 0.9700
