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#$Date: 2016-03-25 14:29:31 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179898 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/94/7019469.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_7019469
loop_
_publ_author_name
'Levin, Jessica R.'
'Gu, Jun'
'Carroll, Patrick J.'
'Schelter, Eric J.'
_publ_section_title
;
 Lanthanide(iii) 2-naphthoxide complexes stabilized by interligand
 non-covalent interactions.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7870
_journal_page_last               7872
_journal_paper_doi               10.1039/c2dt30445g
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C90 H72 Ce Li3 N6 O6'
_chemical_formula_weight         1494.48
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   20.7351(11)
_cell_length_b                   20.7351(11)
_cell_length_c                   30.1140(18)
_cell_measurement_reflns_used    9178
_cell_measurement_temperature    143(1)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      2.64
_cell_volume                     11212.7(11)
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      143(1)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'CCD Area Detector'
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0270
_diffrn_reflns_av_sigmaI/netI    0.0102
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            114733
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    0.669
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6741
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2007)'
_exptl_crystal_density_diffrn    1.328
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4614
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.709
_refine_diff_density_min         -0.727
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         5743
_refine_ls_number_restraints     86
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0324
_refine_ls_R_factor_gt           0.0277
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0276P)²+28.8641P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0657
_refine_ls_wR_factor_ref         0.0698
_reflns_number_gt                5260
_reflns_number_total             5743
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30445g.txt
_cod_data_source_block           UP4098
_cod_original_sg_symbol_H-M      'R -3 '
_cod_database_code               7019469
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
Ce1 Ce 0.3333 0.6667 0.395029(5) 0.02446(6) Uani 1 3 d S . .
O1 O 0.23506(7) 0.56191(8) 0.43284(4) 0.0345(3) Uani 1 1 d . . .
O2 O 0.22111(8) 0.62617(8) 0.35598(5) 0.0395(3) Uani 1 1 d . . .
N1 N 0.11745(10) 0.45972(10) 0.33882(6) 0.0405(4) Uani 1 1 d . . .
N2 N 0.06412(10) 0.52733(11) 0.42234(6) 0.0458(4) Uani 1 1 d . . .
C1 C 0.23302(9) 0.52347(10) 0.46881(6) 0.0280(3) Uani 1 1 d . . .
C2 C 0.21974(12) 0.44957(11) 0.46405(7) 0.0372(4) Uani 1 1 d . . .
H2 H 0.2116 0.4286 0.4359 0.049 Uiso 1 1 calc R . .
C3 C 0.21868(12) 0.40890(11) 0.49980(7) 0.0413(5) Uani 1 1 d . . .
H3 H 0.2092 0.3605 0.4956 0.055 Uiso 1 1 calc R . .
C4 C 0.23172(11) 0.43885(11) 0.54316(7) 0.0345(4) Uani 1 1 d . . .
C5 C 0.23360(14) 0.39882(14) 0.58095(8) 0.0491(5) Uani 1 1 d . . .
H5 H 0.2259 0.3509 0.5775 0.065 Uiso 1 1 calc R . .
C6 C 0.24648(14) 0.42958(16) 0.62207(8) 0.0546(6) Uani 1 1 d . . .
H6 H 0.2489 0.4032 0.6464 0.073 Uiso 1 1 calc R . .
C7 C 0.25615(14) 0.50079(16) 0.62800(7) 0.0526(6) Uani 1 1 d . . .
H7 H 0.2638 0.5210 0.6564 0.070 Uiso 1 1 calc R . .
C8 C 0.25453(12) 0.54106(13) 0.59249(7) 0.0419(5) Uani 1 1 d . . .
H8 H 0.2607 0.5882 0.5971 0.056 Uiso 1 1 calc R . .
C9 C 0.24349(9) 0.51190(10) 0.54872(6) 0.0295(4) Uani 1 1 d . . .
C10 C 0.24347(9) 0.55261(10) 0.51106(6) 0.0284(3) Uani 1 1 d . . .
H10 H 0.2507 0.6003 0.5149 0.038 Uiso 1 1 calc R . .
C11 C 0.18080(16) 0.63694(18) 0.32347(7) 0.0472(15) Uani 0.520(3) 1 d PGU A 1
C12 C 0.12698(16) 0.65581(16) 0.33454(6) 0.0392(10) Uani 0.520(3) 1 d PGU A 1
H12 H 0.1142 0.6561 0.3641 0.052 Uiso 0.520(3) 1 calc PR A 1
C13 C 0.09226(13) 0.67426(14) 0.30123(7) 0.0430(10) Uani 0.520(3) 1 d PGU A 1
H13 H 0.0564 0.6868 0.3086 0.057 Uiso 0.520(3) 1 calc PR A 1
C14 C 0.11137(10) 0.67384(10) 0.25686(6) 0.0512(14) Uani 0.520(3) 1 d PGU A 1
C15 C 0.07581(14) 0.69118(16) 0.22351(8) 0.0562(13) Uani 0.520(3) 1 d PGU A 1
H15 H 0.0399 0.7038 0.2309 0.075 Uiso 0.520(3) 1 calc PR A 1
C16 C 0.09407(17) 0.68964(18) 0.17908(7) 0.0581(15) Uani 0.520(3) 1 d PGU A 1
H16 H 0.0704 0.7012 0.1569 0.077 Uiso 0.520(3) 1 calc PR A 1
C17 C 0.14788(17) 0.67076(19) 0.16801(6) 0.0724(17) Uani 0.520(3) 1 d PGU A 1
H17 H 0.1601 0.6697 0.1384 0.096 Uiso 0.520(3) 1 calc PR A 1
C18 C 0.18343(15) 0.65343(18) 0.20136(7) 0.0645(15) Uani 0.520(3) 1 d PGU A 1
H18 H 0.2193 0.6409 0.1940 0.086 Uiso 0.520(3) 1 calc PR A 1
C19 C 0.16518(11) 0.65497(12) 0.24578(6) 0.0473(13) Uani 0.520(3) 1 d PGU A 1
C20 C 0.19990(14) 0.63653(17) 0.27910(8) 0.0418(10) Uani 0.520(3) 1 d PGU A 1
H20 H 0.2358 0.6240 0.2717 0.056 Uiso 0.520(3) 1 calc PR A 1
C11' C 0.19418(16) 0.63349(18) 0.31569(7) 0.0349(13) Uani 0.480(3) 1 d PGU A 2
C12' C 0.22604(15) 0.62426(19) 0.27716(9) 0.0476(13) Uani 0.480(3) 1 d PGU A 2
H12' H 0.2612 0.6090 0.2791 0.063 Uiso 0.480(3) 1 calc PR A 2
C13' C 0.20517(15) 0.63790(18) 0.23573(8) 0.0491(13) Uani 0.480(3) 1 d PGU A 2
H13' H 0.2264 0.6318 0.2100 0.065 Uiso 0.480(3) 1 calc PR A 2
C14' C 0.15243(11) 0.66075(13) 0.23283(6) 0.0377(12) Uani 0.480(3) 1 d PGU A 2
C15' C 0.12580(15) 0.67699(17) 0.19342(6) 0.0449(11) Uani 0.480(3) 1 d PGU A 2
H15' H 0.1437 0.6715 0.1662 0.060 Uiso 0.480(3) 1 calc PR A 2
C16' C 0.07395(16) 0.70078(17) 0.19413(7) 0.0506(14) Uani 0.480(3) 1 d PGU A 2
H16' H 0.0609 0.7140 0.1675 0.067 Uiso 0.480(3) 1 calc PR A 2
C17' C 0.04213(14) 0.70530(16) 0.23185(9) 0.0420(11) Uani 0.480(3) 1 d PGU A 2
H17' H 0.0072 0.7210 0.2316 0.056 Uiso 0.480(3) 1 calc PR A 2
C18' C 0.06336(12) 0.68539(14) 0.27225(7) 0.0368(10) Uani 0.480(3) 1 d PGU A 2
H18' H 0.0390 0.6829 0.2987 0.049 Uiso 0.480(3) 1 calc PR A 2
C19' C 0.12056(10) 0.66998(10) 0.27137(6) 0.0352(11) Uani 0.480(3) 1 d PGU A 2
C20' C 0.14144(14) 0.65634(16) 0.31280(6) 0.0341(10) Uani 0.480(3) 1 d PGU A 2
H20' H 0.1202 0.6625 0.3385 0.045 Uiso 0.480(3) 1 calc PR A 2
C21 C 0.15812(12) 0.43047(13) 0.32468(8) 0.0461(5) Uani 1 1 d . A .
H21 H 0.2002 0.4403 0.3409 0.061 Uiso 1 1 calc R . .
C22 C 0.14131(14) 0.38650(14) 0.28741(9) 0.0531(6) Uani 1 1 d . . .
H22 H 0.1717 0.3677 0.2786 0.071 Uiso 1 1 calc R A .
C23 C 0.07917(15) 0.37097(15) 0.26357(8) 0.0554(6) Uani 1 1 d . A .
H23 H 0.0657 0.3403 0.2387 0.074 Uiso 1 1 calc R . .
C24 C 0.03683(14) 0.40153(15) 0.27690(8) 0.0528(6) Uani 1 1 d . . .
H24 H -0.0055 0.3924 0.2612 0.070 Uiso 1 1 calc R A .
C25 C 0.05863(13) 0.44601(13) 0.31415(7) 0.0442(5) Uani 1 1 d . A .
H25 H 0.0307 0.4677 0.3226 0.059 Uiso 1 1 calc R . .
C26 C -0.00847(13) 0.47976(15) 0.41556(8) 0.0532(6) Uani 1 1 d . A .
H26 H -0.0218 0.4402 0.3961 0.071 Uiso 1 1 calc R . .
C27 C -0.06440(13) 0.48651(16) 0.43601(9) 0.0577(6) Uani 1 1 d . . .
H27 H -0.1141 0.4524 0.4302 0.077 Uiso 1 1 calc R A .
C28 C -0.04551(13) 0.54439(15) 0.46516(9) 0.0529(6) Uani 1 1 d . A .
H28 H -0.0821 0.5506 0.4791 0.070 Uiso 1 1 calc R . .
C29 C 0.02886(14) 0.59293(13) 0.47329(8) 0.0495(5) Uani 1 1 d . . .
H29 H 0.0435 0.6320 0.4933 0.066 Uiso 1 1 calc R A .
C30 C 0.08142(12) 0.58242(13) 0.45111(8) 0.0462(5) Uani 1 1 d . A .
H30 H 0.1315 0.6156 0.4566 0.061 Uiso 1 1 calc R . .
Li1 Li 0.15689(19) 0.5373(2) 0.38990(11) 0.0383(7) Uani 1 1 d . A .
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'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ce Ce -0.2486 2.6331 '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
O2 Ce1 O2 97.24(5) 2_665 3_565
O2 Ce1 O2 97.24(5) 2_665 .
O2 Ce1 O2 97.24(5) 3_565 .
O2 Ce1 O1 70.93(5) 2_665 2_665
O2 Ce1 O1 94.30(5) 3_565 2_665
O2 Ce1 O1 164.47(5) . 2_665
O2 Ce1 O1 94.30(5) 2_665 .
O2 Ce1 O1 164.47(5) 3_565 .
O2 Ce1 O1 70.93(5) . .
O1 Ce1 O1 99.28(4) 2_665 .
O2 Ce1 O1 164.47(5) 2_665 3_565
O2 Ce1 O1 70.93(5) 3_565 3_565
O2 Ce1 O1 94.30(5) . 3_565
O1 Ce1 O1 99.28(4) 2_665 3_565
O1 Ce1 O1 99.28(4) . 3_565
O2 Ce1 Li1 35.62(7) 2_665 2_665
O2 Ce1 Li1 93.67(7) 3_565 2_665
O2 Ce1 Li1 132.72(7) . 2_665
O1 Ce1 Li1 35.60(7) 2_665 2_665
O1 Ce1 Li1 101.75(7) . 2_665
O1 Ce1 Li1 132.57(7) 3_565 2_665
O2 Ce1 Li1 93.67(7) 2_665 .
O2 Ce1 Li1 132.72(7) 3_565 .
O2 Ce1 Li1 35.62(7) . .
O1 Ce1 Li1 132.57(7) 2_665 .
O1 Ce1 Li1 35.60(7) . .
O1 Ce1 Li1 101.75(7) 3_565 .
Li1 Ce1 Li1 119.781(10) 2_665 .
O2 Ce1 Li1 132.72(7) 2_665 3_565
O2 Ce1 Li1 35.62(7) 3_565 3_565
O2 Ce1 Li1 93.67(7) . 3_565
O1 Ce1 Li1 101.75(7) 2_665 3_565
O1 Ce1 Li1 132.57(7) . 3_565
O1 Ce1 Li1 35.60(7) 3_565 3_565
Li1 Ce1 Li1 119.781(11) 2_665 3_565
Li1 Ce1 Li1 119.781(10) . 3_565
C1 O1 Li1 127.90(16) . .
C1 O1 Ce1 133.37(11) . .
Li1 O1 Ce1 98.18(12) . .
C11' O2 C11 16.55(17) . .
C11' O2 Li1 116.48(19) . .
C11 O2 Li1 110.17(18) . .
C11' O2 Ce1 141.66(16) . .
C11 O2 Ce1 150.37(16) . .
Li1 O2 Ce1 99.35(11) . .
C21 N1 C25 116.45(19) . .
C21 N1 Li1 119.77(18) . .
C25 N1 Li1 122.87(18) . .
C30 N2 C26 116.9(2) . .
C30 N2 Li1 112.48(17) . .
C26 N2 Li1 130.26(19) . .
O1 C1 C10 122.49(16) . .
O1 C1 C2 119.57(17) . .
C10 C1 C2 117.94(16) . .
C3 C2 C1 121.49(18) . .
C2 C3 C4 121.24(18) . .
C3 C4 C9 118.12(17) . .
C3 C4 C5 122.60(19) . .
C9 C4 C5 119.28(19) . .
C6 C5 C4 120.9(2) . .
C5 C6 C7 120.2(2) . .
C8 C7 C6 120.7(2) . .
C7 C8 C9 120.9(2) . .
C10 C9 C4 119.45(17) . .
C10 C9 C8 122.57(18) . .
C4 C9 C8 117.98(18) . .
C1 C10 C9 121.72(16) . .
O2 C11 C20 118.88(17) . .
O2 C11 C12 120.78(17) . .
C20 C11 C12 120.0 . .
O2 C11 Li1 41.68(12) . .
C20 C11 Li1 129.82(13) . .
C12 C11 Li1 99.71(13) . .
C13 C12 C11 120.0 . .
C14 C13 C12 120.0 . .
C19 C14 C13 120.0 . .
C19 C14 C15 120.0 . .
C13 C14 C15 120.0 . .
C14 C15 C16 120.0 . .
C17 C16 C15 120.0 . .
C18 C17 C16 120.0 . .
C19 C18 C17 120.0 . .
C14 C19 C18 120.0 . .
C14 C19 C20 120.0 . .
C18 C19 C20 120.0 . .
C11 C20 C19 120.0 . .
O2 C11' C12' 118.18(17) . .
O2 C11' C20' 121.55(17) . .
C12' C11' C20' 120.0 . .
C11' C12' C13' 120.0 . .
C14' C13' C12' 120.0 . .
C19' C14' C13' 120.0 . .
C19' C14' C15' 113.3 . .
C13' C14' C15' 126.7 . .
C16' C15' C14' 122.2 . .
C17' C16' C15' 122.2 . .
C16' C17' C18' 118.0 . .
C19' C18' C17' 118.6 . .
C18' C19' C14' 124.8 . .
C18' C19' C20' 114.9 . .
C14' C19' C20' 120.0 . .
C11' C20' C19' 120.0 . .
N1 C21 C22 123.7(2) . .
C23 C22 C21 118.8(2) . .
C22 C23 C24 118.9(2) . .
C23 C24 C25 118.4(2) . .
N1 C25 C24 123.8(2) . .
N2 C26 C27 123.3(2) . .
C28 C27 C26 119.1(2) . .
C27 C28 C29 118.5(2) . .
C28 C29 C30 118.7(2) . .
N2 C30 C29 123.6(2) . .
O1 Li1 O2 90.84(15) . .
O1 Li1 N2 108.97(17) . .
O2 Li1 N2 120.34(19) . .
O1 Li1 N1 130.8(2) . .
O2 Li1 N1 99.40(16) . .
N2 Li1 N1 106.59(17) . .
O1 Li1 C11 118.58(17) . .
O2 Li1 C11 28.16(9) . .
N2 Li1 C11 103.21(16) . .
N1 Li1 C11 84.02(14) . .
O1 Li1 Ce1 46.21(8) . .
O2 Li1 Ce1 45.04(8) . .
N2 Li1 Ce1 131.16(15) . .
N1 Li1 Ce1 120.94(14) . .
C11 Li1 Ce1 73.17(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ce1 O2 2.3556(13) 2_665
Ce1 O2 2.3556(13) 3_565
Ce1 O2 2.3556(13) .
Ce1 O1 2.3959(13) 2_665
Ce1 O1 2.3959(13) .
Ce1 O1 2.3959(13) 3_565
Ce1 Li1 3.285(3) 2_665
Ce1 Li1 3.285(3) .
Ce1 Li1 3.285(3) 3_565
O1 C1 1.333(2) .
O1 Li1 1.932(4) .
O2 C11' 1.375(2) .
O2 C11 1.376(2) .
O2 Li1 1.939(4) .
N1 C21 1.331(3) .
N1 C25 1.332(3) .
N1 Li1 2.075(4) .
N2 C30 1.332(3) .
N2 C26 1.340(3) .
N2 Li1 2.073(4) .
C1 C10 1.378(2) .
C1 C2 1.422(3) .
C2 C3 1.361(3) .
C3 C4 1.413(3) .
C4 C9 1.419(3) .
C4 C5 1.420(3) .
C5 C6 1.357(4) .
C6 C7 1.398(4) .
C7 C8 1.368(3) .
C8 C9 1.420(3) .
C9 C10 1.414(2) .
C11 C20 1.3949 .
C11 C12 1.3951 .
C11 Li1 2.737(4) .
C12 C13 1.3950 .
C13 C14 1.3950 .
C14 C19 1.3949 .
C14 C15 1.3951 .
C15 C16 1.3952 .
C16 C17 1.3951 .
C17 C18 1.3950 .
C18 C19 1.3949 .
C19 C20 1.3953 .
C11' C12' 1.3950 .
C11' C20' 1.3950 .
C12' C13' 1.3951 .
C13' C14' 1.3951 .
C14' C19' 1.3950 .
C14' C15' 1.4188 .
C15' C16' 1.3892 .
C16' C17' 1.3402 .
C17' C18' 1.4236 .
C18' C19' 1.3742 .
C19' C20' 1.3951 .
C21 C22 1.376(3) .
C22 C23 1.365(4) .
C23 C24 1.375(3) .
C24 C25 1.377(3) .
C26 C27 1.380(3) .
C27 C28 1.376(4) .
C28 C29 1.378(4) .
C29 C30 1.385(3) .
