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#$Date: 2025-08-20 17:12:52 +0300 (Wed, 20 Aug 2025) $
#$Revision: 301832 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/10/48/4104866.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_4104866
loop_
_publ_author_name
'Kristopher J. Kolonko'
'Margaret M. Biddle'
'Ilia A. Guzei'
'Hans J. Reich'
_publ_contact_author_address
;
Department of Chemistry
University of Wisconsin-Madison
1101 University Ave
Madison, WI  53706
USA
;
_publ_contact_author_email       iguzei@chem.wisc.edu
_publ_contact_author_fax         608-262-0381
_publ_contact_author_name
;
Guzei, Ilia A. 
;
_publ_contact_author_phone       608-263-4694
_publ_section_title
;
 Solution Structures of Lithium Enolates of Cyclopentanone, Cyclohexanone,
 Acetophenones, and Benzyl Ketones. Triple Ions and Higher Lithiate
 Complexes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11525
_journal_page_last               11534
_journal_paper_doi               10.1021/ja903479p
_journal_volume                  131
_journal_year                    2009
_chemical_formula_moiety         'C38 H42 F4 Li2 O4'
_chemical_formula_sum            'C38 H42 F4 Li2 O4'
_chemical_formula_weight         652.60
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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
;
manual editing of the CIF file 
created by SHELXTL Ver. 6.10
and processed with modiCIfer-03272007. 
;
_cell_angle_alpha                113.932(2)
_cell_angle_beta                 96.489(2)
_cell_angle_gamma                98.884(2)
_cell_formula_units_Z            1
_cell_length_a                   9.6071(11)
_cell_length_b                   9.8809(12)
_cell_length_c                   10.5968(13)
_cell_measurement_reflns_used    5083
_cell_measurement_temperature    105(2)
_cell_measurement_theta_max      28.9763
_cell_measurement_theta_min      2.3809
_cell_volume                     891.06(19)
_computing_cell_refinement       'SAINT Ver. 7.24A (Bruker-AXS, 2007)'
_computing_data_collection       'SMART Ver. 5.622 (Bruker-AXS, 2000)'
_computing_data_reduction        'SAINT Ver. 7.24A'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker-AXS, 2007)'
_diffrn_ambient_temperature      105(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker CCD-1000 area detector'
_diffrn_measurement_method       '0.30° ω and 0.4 ° φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0241
_diffrn_reflns_av_sigmaI/netI    0.0219
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            10061
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.14
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.090
_exptl_absorpt_correction_T_max  0.9769
_exptl_absorpt_correction_T_min  0.9605
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS  (Bruker-AXS, 2007)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.216
_exptl_crystal_description       block
_exptl_crystal_F_000             344
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.578
_refine_diff_density_min         -0.388
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     242
_refine_ls_number_reflns         3310
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      0.995
_refine_ls_R_factor_all          0.0669
_refine_ls_R_factor_gt           0.0575
_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)+(0.0800P)²+0.7860P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1545
_refine_ls_wR_factor_ref         0.1606
_reflns_number_gt                2797
_reflns_number_total             3310
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ja903479p_si_003.cif
_cod_data_source_block           reich10
_cod_original_cell_volume        891.06(18)
_cod_original_sg_symbol_Hall     '-P 1        '
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               4104866
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
F1 F 1.0687(2) 1.40747(19) 0.85264(16) 0.0714(5) Uani 1 1 d . . .
F2 F -0.04326(14) 1.21911(16) 0.12484(17) 0.0543(4) Uani 1 1 d . . .
O1 O 0.51755(14) 1.05479(15) 0.40096(13) 0.0288(3) Uani 1 1 d . . .
Li1 Li 0.4196(4) 0.8817(4) 0.4067(3) 0.0339(8) Uani 1 1 d . . .
C1 C 0.8617(2) 1.0896(2) 0.5396(2) 0.0342(5) Uani 1 1 d . . .
H1 H 0.8305 0.9828 0.5055 0.041 Uiso 1 1 calc R . .
C2 C 0.9434(3) 1.1728(3) 0.6748(2) 0.0443(6) Uani 1 1 d . . .
H2 H 0.9675 1.1248 0.7333 0.053 Uiso 1 1 calc R . .
C3 C 0.9876(3) 1.3255(3) 0.7204(2) 0.0459(6) Uani 1 1 d . . .
C4 C 0.9529(3) 1.3994(3) 0.6410(3) 0.0453(6) Uani 1 1 d . . .
H4 H 0.9842 1.5064 0.6769 0.054 Uiso 1 1 calc R . .
C5 C 0.8707(2) 1.3144(2) 0.5063(2) 0.0383(5) Uani 1 1 d . . .
H5 H 0.8457 1.3642 0.4497 0.046 Uiso 1 1 calc R . .
C6 C 0.8243(2) 1.1577(2) 0.4530(2) 0.0300(4) Uani 1 1 d . . .
C7 C 0.7321(2) 1.0654(2) 0.3079(2) 0.0323(5) Uani 1 1 d . . .
H7A H 0.7339 0.9569 0.2776 0.039 Uiso 1 1 calc R . .
H7B H 0.7721 1.0984 0.2403 0.039 Uiso 1 1 calc R . .
C8 C 0.5776(2) 1.0840(2) 0.30649(19) 0.0273(4) Uani 1 1 d . . .
C9 C 0.5142(2) 1.1259(2) 0.21136(19) 0.0286(4) Uani 1 1 d . . .
H9 H 0.5720 1.1431 0.1500 0.034 Uiso 1 1 calc R . .
C10 C 0.3683(2) 1.1478(2) 0.1919(2) 0.0287(4) Uani 1 1 d . . .
C11 C 0.3133(2) 1.1633(2) 0.0713(2) 0.0367(5) Uani 1 1 d . . .
H11 H 0.3720 1.1577 0.0037 0.044 Uiso 1 1 calc R . .
C12 C 0.1759(3) 1.1867(3) 0.0476(2) 0.0424(5) Uani 1 1 d . . .
H12 H 0.1406 1.1971 -0.0347 0.051 Uiso 1 1 calc R . .
C13 C 0.0923(2) 1.1945(2) 0.1460(3) 0.0403(5) Uani 1 1 d . . .
C14 C 0.1402(2) 1.1817(2) 0.2668(3) 0.0399(5) Uani 1 1 d . . .
H14 H 0.0805 1.1889 0.3339 0.048 Uiso 1 1 calc R . .
C15 C 0.2777(2) 1.1580(2) 0.2890(2) 0.0343(5) Uani 1 1 d . . .
H15 H 0.3115 1.1483 0.3721 0.041 Uiso 1 1 calc R . .
O2 O 0.39978(18) 0.67529(18) 0.27497(17) 0.0450(4) Uani 1 1 d D . .
C16 C 0.5876(4) 0.5478(4) 0.3146(4) 0.0548(10) Uani 0.70 1 d PD A 1
H16A H 0.5850 0.4941 0.2134 0.082 Uiso 0.70 1 calc PR A 1
H16B H 0.6139 0.4851 0.3613 0.082 Uiso 0.70 1 calc PR A 1
H16C H 0.6589 0.6442 0.3538 0.082 Uiso 0.70 1 calc PR A 1
C17 C 0.4397(4) 0.5792(3) 0.3386(4) 0.0387(7) Uani 0.70 1 d PD A 1
H17A H 0.3675 0.4820 0.2977 0.046 Uiso 0.70 1 calc PR A 1
H17B H 0.4411 0.6292 0.4410 0.046 Uiso 0.70 1 calc PR A 1
C16A C 0.6499(12) 0.6412(17) 0.3034(15) 0.036(3) Uiso 0.15 1 d PD A 2
H16D H 0.6758 0.6247 0.2122 0.054 Uiso 0.15 1 calc PR A 2
H16E H 0.7066 0.5921 0.3478 0.054 Uiso 0.15 1 calc PR A 2
H16F H 0.6698 0.7503 0.3643 0.054 Uiso 0.15 1 calc PR A 2
C17A C 0.4888(11) 0.5724(12) 0.2810(15) 0.089(4) Uiso 0.15 1 d PD A 2
H17C H 0.4608 0.4781 0.1922 0.106 Uiso 0.15 1 calc PR A 2
H17D H 0.4719 0.5452 0.3591 0.106 Uiso 0.15 1 calc PR A 2
C16B C 0.4729(16) 0.5482(17) 0.4090(14) 0.038(3) Uiso 0.15 1 d PD A 3
H16G H 0.5003 0.6461 0.4923 0.057 Uiso 0.15 1 calc PR A 3
H16H H 0.5351 0.4816 0.4182 0.057 Uiso 0.15 1 calc PR A 3
H16I H 0.3727 0.5010 0.4007 0.057 Uiso 0.15 1 calc PR A 3
C17B C 0.4888(11) 0.5724(12) 0.2810(15) 0.089(4) Uiso 0.15 1 d P A 3
H17E H 0.5904 0.6163 0.2865 0.106 Uiso 0.15 1 calc PR A 3
H17F H 0.4580 0.4747 0.1957 0.106 Uiso 0.15 1 calc PR A 3
C18 C 0.3393(6) 0.6056(4) 0.1295(3) 0.0651(11) Uani 0.85 1 d PD A 1
H18A H 0.2486 0.5319 0.1116 0.078 Uiso 0.85 1 calc PR A 1
H18B H 0.4064 0.5495 0.0761 0.078 Uiso 0.85 1 calc PR A 1
C19 C 0.3100(3) 0.7242(3) 0.0803(2) 0.0369(6) Uani 0.85 1 d PD A 1
H19A H 0.2376 0.7737 0.1277 0.055 Uiso 0.85 1 calc PR A 1
H19B H 0.2745 0.6755 -0.0217 0.055 Uiso 0.85 1 calc PR A 1
H19C H 0.3990 0.8002 0.1030 0.055 Uiso 0.85 1 calc PR A 1
C18A C 0.397(4) 0.639(3) 0.1287(9) 0.088(12) Uiso 0.15 1 d PD A 2
H18C H 0.4969 0.6806 0.1268 0.105 Uiso 0.15 1 calc PR A 2
H18D H 0.3397 0.7072 0.1111 0.105 Uiso 0.15 1 calc PR A 2
C19A C 0.351(3) 0.491(3) -0.009(2) 0.086(7) Uiso 0.15 1 d PD A 2
H19D H 0.4293 0.4366 -0.0224 0.129 Uiso 0.15 1 calc PR A 2
H19E H 0.3280 0.5148 -0.0890 0.129 Uiso 0.15 1 calc PR A 2
H19F H 0.2656 0.4261 -0.0033 0.129 Uiso 0.15 1 calc PR A 2
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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
C8 O1 Li1 134.84(16) . . yes
C8 O1 Li1 132.00(16) . 2_676 yes
Li1 O1 Li1 84.26(16) . 2_676 yes
O1 Li1 O1 95.74(16) . 2_676 yes
O1 Li1 O2 127.9(2) . . yes
O1 Li1 O2 121.23(19) 2_676 . yes
O1 Li1 Li1 48.18(12) . 2_676 yes
O1 Li1 Li1 47.56(12) 2_676 2_676 yes
O2 Li1 Li1 147.6(3) . 2_676 yes
C6 C1 C2 122.1(2) . . ?
C6 C1 H1 119.0 . . ?
C2 C1 H1 119.0 . . ?
C3 C2 C1 117.6(2) . . ?
C3 C2 H2 121.2 . . ?
C1 C2 H2 121.2 . . ?
C2 C3 C4 123.1(2) . . ?
C2 C3 F1 117.9(2) . . ?
C4 C3 F1 119.1(2) . . ?
C3 C4 C5 118.4(2) . . ?
C3 C4 H4 120.8 . . ?
C5 C4 H4 120.8 . . ?
C4 C5 C6 121.2(2) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 H5 119.4 . . ?
C1 C6 C5 117.61(19) . . ?
C1 C6 C7 121.06(18) . . ?
C5 C6 C7 121.29(19) . . ?
C6 C7 C8 111.31(16) . . ?
C6 C7 H7A 109.4 . . ?
C8 C7 H7A 109.4 . . ?
C6 C7 H7B 109.4 . . ?
C8 C7 H7B 109.4 . . ?
H7A C7 H7B 108.0 . . ?
O1 C8 C9 126.07(18) . . ?
O1 C8 C7 114.45(16) . . ?
C9 C8 C7 119.47(17) . . ?
C8 C9 C10 127.85(18) . . ?
C8 C9 H9 116.1 . . ?
C10 C9 H9 116.1 . . ?
C11 C10 C15 116.77(19) . . ?
C11 C10 C9 119.28(18) . . ?
C15 C10 C9 123.94(18) . . ?
C12 C11 C10 122.1(2) . . ?
C12 C11 H11 119.0 . . ?
C10 C11 H11 119.0 . . ?
C13 C12 C11 118.3(2) . . ?
C13 C12 H12 120.8 . . ?
C11 C12 H12 120.8 . . ?
F2 C13 C12 119.0(2) . . ?
F2 C13 C14 118.5(2) . . ?
C12 C13 C14 122.4(2) . . ?
C13 C14 C15 118.6(2) . . ?
C13 C14 H14 120.7 . . ?
C15 C14 H14 120.7 . . ?
C14 C15 C10 121.8(2) . . ?
C14 C15 H15 119.1 . . ?
C10 C15 H15 119.1 . . ?
C18 O2 C18A 24.4(12) . . yes
C18 O2 C17 117.7(2) . . yes
C18A O2 C17 123.1(14) . . yes
C18 O2 C17A 100.2(6) . . yes
C18A O2 C17A 95.5(16) . . yes
C17 O2 C17A 32.2(5) . . yes
C18 O2 Li1 128.2(2) . . yes
C18A O2 Li1 119.5(12) . . yes
C17 O2 Li1 113.77(19) . . yes
C17A O2 Li1 127.4(6) . . yes
O2 C17 C16 110.9(3) . . ?
O2 C17 H17A 109.5 . . ?
C16 C17 H17A 109.5 . . ?
O2 C17 H17B 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 108.1 . . ?
C17A C16A H16D 109.5 . . ?
C17A C16A H16E 109.5 . . ?
H16D C16A H16E 109.5 . . ?
C17A C16A H16F 109.5 . . ?
H16D C16A H16F 109.5 . . ?
H16E C16A H16F 109.5 . . ?
O2 C17A C16A 112.4(9) . . ?
O2 C17A H17C 109.1 . . ?
C16A C17A H17C 109.1 . . ?
O2 C17A H17D 109.1 . . ?
C16A C17A H17D 109.1 . . ?
H17C C17A H17D 107.9 . . ?
O2 C18 C19 110.2(2) . . ?
O2 C18 H18A 109.6 . . ?
C19 C18 H18A 109.6 . . ?
O2 C18 H18B 109.6 . . ?
C19 C18 H18B 109.6 . . ?
H18A C18 H18B 108.1 . . ?
O2 C18A C19A 134(2) . . ?
O2 C18A H18C 103.7 . . ?
C19A C18A H18C 103.7 . . ?
O2 C18A H18D 103.7 . . ?
C19A C18A H18D 103.7 . . ?
H18C C18A H18D 105.3 . . ?
C18A C19A H19D 109.5 . . ?
C18A C19A H19E 109.5 . . ?
H19D C19A H19E 109.5 . . ?
C18A C19A H19F 109.5 . . ?
H19D C19A H19F 109.5 . . ?
H19E C19A H19F 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
F1 C3 1.365(3) . yes
F2 C13 1.371(2) . yes
O1 C8 1.316(2) . yes
O1 Li1 1.847(4) . yes
O1 Li1 1.866(3) 2_676 yes
Li1 O1 1.866(3) 2_676 yes
Li1 O2 1.912(4) . yes
Li1 Li1 2.491(7) 2_676 yes
C1 C6 1.388(3) . ?
C1 C2 1.392(3) . ?
C1 H1 0.9500 . ?
C2 C3 1.362(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.365(4) . ?
C4 C5 1.391(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.391(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.511(3) . ?
C7 C8 1.522(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.356(3) . ?
C9 C10 1.455(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.403(3) . ?
C10 C15 1.404(3) . ?
C11 C12 1.388(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.372(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.372(3) . ?
C14 C15 1.388(3) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
O2 C18 1.414(3) . yes
O2 C18A 1.438(4) . yes
O2 C17 1.441(3) . yes
O2 C17A 1.441(4) . yes
C16 C17 1.528(5) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C16A C17A 1.541(9) . ?
C16A H16D 0.9800 . ?
C16A H16E 0.9800 . ?
C16A H16F 0.9800 . ?
C17A H17C 0.9900 . ?
C17A H17D 0.9900 . ?
C16B H16G 0.9800 . ?
C16B H16H 0.9800 . ?
C16B H16I 0.9800 . ?
C18 C19 1.513(4) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C18A C19A 1.550(10) . ?
C18A H18C 0.9900 . ?
C18A H18D 0.9900 . ?
C19A H19D 0.9800 . ?
C19A H19E 0.9800 . ?
C19A H19F 0.9800 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C8 O1 Li1 O1 148.0(2) . 2_676
Li1 O1 Li1 O1 0.0 2_676 2_676
C8 O1 Li1 O2 10.4(4) . .
Li1 O1 Li1 O2 -137.6(3) 2_676 .
C8 O1 Li1 Li1 148.0(2) . 2_676
C6 C1 C2 C3 -0.5(4) . .
C1 C2 C3 C4 1.4(4) . .
C1 C2 C3 F1 -179.5(2) . .
C2 C3 C4 C5 -1.1(4) . .
F1 C3 C4 C5 179.7(2) . .
C3 C4 C5 C6 0.1(3) . .
C2 C1 C6 C5 -0.4(3) . .
C2 C1 C6 C7 -178.4(2) . .
C4 C5 C6 C1 0.7(3) . .
C4 C5 C6 C7 178.61(19) . .
C1 C6 C7 C8 102.2(2) . .
C5 C6 C7 C8 -75.6(2) . .
Li1 O1 C8 C9 92.8(3) . .
Li1 O1 C8 C9 -132.3(2) 2_676 .
Li1 O1 C8 C7 -86.5(3) . .
Li1 O1 C8 C7 48.3(3) 2_676 .
C6 C7 C8 O1 -53.9(2) . .
C6 C7 C8 C9 126.76(19) . .
O1 C8 C9 C10 -0.1(3) . .
C7 C8 C9 C10 179.21(18) . .
C8 C9 C10 C11 -168.01(19) . .
C8 C9 C10 C15 13.4(3) . .
C15 C10 C11 C12 -0.4(3) . .
C9 C10 C11 C12 -179.02(19) . .
C10 C11 C12 C13 -0.1(3) . .
C11 C12 C13 F2 179.36(19) . .
C11 C12 C13 C14 0.7(3) . .
F2 C13 C14 C15 -179.53(18) . .
C12 C13 C14 C15 -0.9(3) . .
C13 C14 C15 C10 0.4(3) . .
C11 C10 C15 C14 0.2(3) . .
C9 C10 C15 C14 178.78(19) . .
O1 Li1 O2 C18 -59.2(4) . .
O1 Li1 O2 C18 172.4(4) 2_676 .
Li1 Li1 O2 C18 -128.7(5) 2_676 .
O1 Li1 O2 C18A -31.7(17) . .
O1 Li1 O2 C18A -160.1(17) 2_676 .
Li1 Li1 O2 C18A -101.2(17) 2_676 .
O1 Li1 O2 C17 127.4(3) . .
O1 Li1 O2 C17 -1.0(3) 2_676 .
Li1 Li1 O2 C17 57.9(5) 2_676 .
O1 Li1 O2 C17A 93.2(7) . .
O1 Li1 O2 C17A -35.2(7) 2_676 .
Li1 Li1 O2 C17A 23.6(8) 2_676 .
C18 O2 C17 C16 82.7(4) . .
C18A O2 C17 C16 55.0(16) . .
C17A O2 C17 C16 20.0(10) . .
Li1 O2 C17 C16 -103.2(3) . .
C18 O2 C17A C16A 107.1(10) . .
C18A O2 C17A C16A 82.9(15) . .
C17 O2 C17A C16A -126.0(16) . .
Li1 O2 C17A C16A -51.2(12) . .
C18A O2 C18 C19 -68(4) . .
C17 O2 C18 C19 -177.7(3) . .
C17A O2 C18 C19 -148.9(6) . .
Li1 O2 C18 C19 9.1(6) . .
C18 O2 C18A C19A -46(2) . .
C17 O2 C18A C19A 39(4) . .
C17A O2 C18A C19A 57(4) . .
Li1 O2 C18A C19A -164(3) . .
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1 PubChem 139115641
