#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:56:50 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178925 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/54/4115404.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_4115404
loop_
_publ_author_name
'Ignacio Fernández'
'Julia María Álvarez Gutíerrez'
'Nikolaus Kocher'
'Dirk Leusser'
'Dietmar Stalke'
'Javier González'
'Fernando López Ortiz'
_publ_contact_author             'Prof. Dr. D. Stalke'
_publ_contact_author_email       dstalke@chemie.uni-wuerzburg.de
_publ_section_title
;
 [Li{CH(Me)P(Ph)2(NCO2Me)}2(THF)2]: Crystal, Solution, and Calculated
 Structure of aN-Delocalized Lithium Phosphazene
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15184
_journal_page_last               15185
_journal_paper_doi               10.1021/ja027469+
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'C48 H66 Li2 N2 O8 P2'
_chemical_formula_weight         874.85
_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                 100.460(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.435(3)
_cell_length_b                   16.162(3)
_cell_length_c                   10.858(2)
_cell_measurement_reflns_used    5951
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.50
_cell_volume                     2318.5(8)
_computing_cell_refinement       'SAINT-NT V6/6.0'
_computing_data_collection       'SMART-NT V5.6'
_computing_data_reduction        'SAINT-NT V6/6.0'
_computing_molecular_graphics    SHELXTL-97
_computing_publication_material  SHELXTL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Smart Apex with D8 Goniometr'
_diffrn_measurement_method       'omega 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  0.0750
_diffrn_reflns_av_sigmaI/netI    0.0540
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            21576
_diffrn_reflns_theta_full        25.08
_diffrn_reflns_theta_max         25.08
_diffrn_reflns_theta_min         1.54
_exptl_absorpt_coefficient_mu    0.148
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7835
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS 2.0 (Sheldrick 2000)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.253
_exptl_crystal_description       blocks
_exptl_crystal_F_000             936
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.772
_refine_diff_density_min         -0.408
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     331
_refine_ls_number_reflns         4106
_refine_ls_number_restraints     300
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0821
_refine_ls_R_factor_gt           0.0593
_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)+(0.0768P)²+3.2398P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1527
_refine_ls_wR_factor_ref         0.1691
_reflns_number_gt                3140
_reflns_number_total             4106
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0274692B_s2.cif
_cod_data_source_block           8
_cod_original_cell_volume        2318.4(8)
_cod_database_code               4115404
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
P1 P 0.16163(6) 0.04382(5) 0.81647(7) 0.0161(2) Uani 1 1 d . . .
N1 N 0.22716(18) 0.01516(15) 0.7109(2) 0.0185(5) Uani 1 1 d . . .
C13 C 0.1887(2) 0.00946(17) 0.5911(3) 0.0163(6) Uani 1 1 d . . .
O1 O 0.25450(15) -0.01323(13) 0.51516(18) 0.0218(5) Uani 1 1 d . . .
C14 C 0.3572(2) -0.0280(2) 0.5715(3) 0.0296(8) Uani 1 1 d . . .
H14A H 0.3942 -0.0493 0.5083 0.044 Uiso 1 1 calc R . .
H14B H 0.3597 -0.0687 0.6389 0.044 Uiso 1 1 calc R . .
H14C H 0.3883 0.0238 0.6060 0.044 Uiso 1 1 calc R . .
O2 O 0.10101(15) 0.02123(12) 0.53311(18) 0.0189(5) Uani 1 1 d . . .
Li1 Li -0.0202(4) 0.0430(3) 0.6029(4) 0.0208(11) Uani 1 1 d . . .
C15 C 0.0390(2) 0.01351(19) 0.8006(3) 0.0194(6) Uani 1 1 d U . .
H15 H 0.007(2) 0.050(2) 0.843(3) 0.023 Uiso 1 1 d . . .
C16 C 0.0253(2) -0.07845(19) 0.8191(3) 0.0258(7) Uani 1 1 d U . .
H16A H -0.0471 -0.0917 0.8047 0.039 Uiso 1 1 calc R . .
H16B H 0.0562 -0.0938 0.9048 0.039 Uiso 1 1 calc R . .
H16C H 0.0579 -0.1094 0.7597 0.039 Uiso 1 1 calc R . .
C1 C 0.2419(2) 0.00681(18) 0.9587(3) 0.0189(6) Uani 1 1 d U . .
C2 C 0.1991(2) 0.00402(18) 1.0668(3) 0.0225(7) Uani 1 1 d U . .
H2 H 0.1303 0.0192 1.0626 0.027 Uiso 1 1 calc R . .
C3 C 0.2563(3) -0.02060(19) 1.1796(3) 0.0277(7) Uani 1 1 d U . .
H3 H 0.2268 -0.0219 1.2527 0.033 Uiso 1 1 calc R . .
C4 C 0.3554(3) -0.0431(2) 1.1862(3) 0.0308(7) Uani 1 1 d U . .
H4 H 0.3950 -0.0593 1.2641 0.037 Uiso 1 1 calc R . .
C5 C 0.3979(3) -0.0423(2) 1.0790(3) 0.0323(8) Uani 1 1 d U . .
H5 H 0.4664 -0.0586 1.0833 0.039 Uiso 1 1 calc R . .
C6 C 0.3411(2) -0.01777(19) 0.9663(3) 0.0253(7) Uani 1 1 d U . .
H6 H 0.3706 -0.0178 0.8932 0.030 Uiso 1 1 calc R . .
C7 C 0.1687(2) 0.15480(18) 0.8310(3) 0.0173(6) Uani 1 1 d U . .
C8 C 0.1258(2) 0.19574(18) 0.9215(3) 0.0206(6) Uani 1 1 d U . .
H8 H 0.0903 0.1650 0.9744 0.025 Uiso 1 1 calc R . .
C9 C 0.1343(2) 0.28029(19) 0.9348(3) 0.0238(7) Uani 1 1 d U . .
H9 H 0.1040 0.3076 0.9962 0.029 Uiso 1 1 calc R . .
C10 C 0.1864(2) 0.32542(19) 0.8598(3) 0.0249(7) Uani 1 1 d U . .
H10 H 0.1933 0.3836 0.8707 0.030 Uiso 1 1 calc R . .
C11 C 0.2286(2) 0.2861(2) 0.7687(3) 0.0261(7) Uani 1 1 d U . .
H11 H 0.2632 0.3174 0.7155 0.031 Uiso 1 1 calc R . .
C12 C 0.2207(2) 0.20095(19) 0.7549(3) 0.0226(7) Uani 1 1 d U . .
H12 H 0.2508 0.1740 0.6932 0.027 Uiso 1 1 calc R . .
O3 O -0.08481(17) 0.15341(13) 0.58511(19) 0.0261(5) Uani 1 1 d . . .
C17 C -0.1304(3) 0.1961(2) 0.4746(3) 0.0311(8) Uani 1 1 d U . .
H17A H -0.1519 0.1563 0.4055 0.037 Uiso 1 1 calc R . .
H17B H -0.0817 0.2355 0.4486 0.037 Uiso 1 1 calc R . .
C18 C -0.2205(3) 0.2415(2) 0.5049(3) 0.0392(9) Uani 1 1 d U . .
H18A H -0.2843 0.2160 0.4615 0.047 Uiso 1 1 calc R . .
H18B H -0.2194 0.3003 0.4795 0.047 Uiso 1 1 calc R . .
C19 C -0.2110(3) 0.2341(2) 0.6451(3) 0.0392(9) Uani 1 1 d U . .
H19A H -0.2195 0.2887 0.6832 0.047 Uiso 1 1 calc R . .
H19B H -0.2623 0.1954 0.6669 0.047 Uiso 1 1 calc R . .
C20 C -0.1066(3) 0.2014(2) 0.6883(3) 0.0333(8) Uani 1 1 d U . .
H20A H -0.0575 0.2473 0.7084 0.040 Uiso 1 1 calc R . .
H20B H -0.1039 0.1664 0.7637 0.040 Uiso 1 1 calc R . .
O4 O 0.4888(3) -0.1671(2) 0.3889(3) 0.0419(9) Uani 0.869(6) 1 d PDU A 1
C21 C 0.5460(5) -0.1973(3) 0.4952(5) 0.0503(14) Uani 0.869(6) 1 d PDU A 1
H21A H 0.5060 -0.1975 0.5633 0.060 Uiso 0.869(6) 1 calc PR A 1
H21B H 0.6059 -0.1614 0.5212 0.060 Uiso 0.869(6) 1 calc PR A 1
C22 C 0.5799(8) -0.2838(5) 0.4733(8) 0.0392(13) Uani 0.869(6) 1 d PDU A 1
H22A H 0.5713 -0.3210 0.5430 0.047 Uiso 0.869(6) 1 calc PR A 1
H22B H 0.6516 -0.2849 0.4628 0.047 Uiso 0.869(6) 1 calc PR A 1
C23 C 0.5098(4) -0.3077(4) 0.3532(6) 0.0401(12) Uani 0.869(6) 1 d PDU A 1
H23A H 0.5432 -0.3460 0.3022 0.048 Uiso 0.869(6) 1 calc PR A 1
H23B H 0.4468 -0.3334 0.3701 0.048 Uiso 0.869(6) 1 calc PR A 1
C24 C 0.4897(3) -0.2253(3) 0.2908(4) 0.0370(10) Uani 0.869(6) 1 d PDU A 1
H24A H 0.5434 -0.2115 0.2427 0.044 Uiso 0.869(6) 1 calc PR A 1
H24B H 0.4236 -0.2256 0.2329 0.044 Uiso 0.869(6) 1 calc PR A 1
O4' O 0.4555(19) -0.1989(14) 0.405(2) 0.043(2) Uani 0.131(6) 1 d PDU A 2
C21' C 0.523(3) -0.222(2) 0.508(3) 0.042(3) Uani 0.131(6) 1 d PDU A 2
H21C H 0.4861 -0.2361 0.5761 0.050 Uiso 0.131(6) 1 calc PR A 2
H21D H 0.5687 -0.1751 0.5360 0.050 Uiso 0.131(6) 1 calc PR A 2
C22' C 0.583(6) -0.295(4) 0.478(6) 0.042(3) Uani 0.131(6) 1 d PDU A 2
H22C H 0.5784 -0.3414 0.5366 0.050 Uiso 0.131(6) 1 calc PR A 2
H22D H 0.6551 -0.2803 0.4825 0.050 Uiso 0.131(6) 1 calc PR A 2
C23' C 0.533(3) -0.317(3) 0.346(4) 0.039(3) Uani 0.131(6) 1 d PDU A 2
H23C H 0.5728 -0.2963 0.2841 0.047 Uiso 0.131(6) 1 calc PR A 2
H23D H 0.5243 -0.3778 0.3356 0.047 Uiso 0.131(6) 1 calc PR A 2
C24' C 0.434(2) -0.2740(16) 0.335(2) 0.042(3) Uani 0.131(6) 1 d PDU A 2
H24C H 0.4061 -0.2617 0.2461 0.051 Uiso 0.131(6) 1 calc PR A 2
H24D H 0.3852 -0.3085 0.3697 0.051 Uiso 0.131(6) 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'
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'
P P 0.1023 0.0942 '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
N1 P1 C15 118.91(14) . .
N1 P1 C7 108.49(13) . .
C15 P1 C7 109.35(14) . .
N1 P1 C1 100.99(13) . .
C15 P1 C1 114.00(14) . .
C7 P1 C1 103.85(13) . .
N1 P1 Li1 85.67(13) . .
C15 P1 Li1 44.94(14) . .
C7 P1 Li1 95.38(13) . .
C1 P1 Li1 156.25(14) . .
C13 N1 P1 123.4(2) . .
O2 C13 N1 131.0(3) . .
O2 C13 O1 113.1(2) . .
N1 C13 O1 115.9(3) . .
C13 O1 C14 118.0(2) . .
O1 C14 H14A 109.5 . .
O1 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
O1 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C13 O2 Li1 127.7(2) . .
C13 O2 Li1 130.0(2) . 3_556
Li1 O2 Li1 90.0(2) . 3_556
O2 Li1 O2 90.0(2) . 3_556
O2 Li1 O3 120.5(3) . .
O2 Li1 O3 103.3(2) 3_556 .
O2 Li1 C15 99.2(2) . .
O2 Li1 C15 132.2(3) 3_556 .
O3 Li1 C15 111.4(2) . .
O2 Li1 Li1 45.20(15) . 3_556
O2 Li1 Li1 44.77(15) 3_556 3_556
O3 Li1 Li1 121.4(3) . 3_556
C15 Li1 Li1 126.1(3) . 3_556
O2 Li1 P1 71.68(16) . .
O2 Li1 P1 146.3(2) 3_556 .
O3 Li1 P1 110.3(2) . .
C15 Li1 P1 33.00(11) . .
Li1 Li1 P1 111.7(3) 3_556 .
C16 C15 P1 114.1(2) . .
C16 C15 Li1 108.1(2) . .
P1 C15 Li1 102.06(19) . .
C16 C15 H15 119(2) . .
P1 C15 H15 108(2) . .
Li1 C15 H15 104(2) . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C6 C1 C2 118.7(3) . .
C6 C1 P1 124.4(2) . .
C2 C1 P1 117.0(2) . .
C3 C2 C1 120.5(3) . .
C3 C2 H2 119.8 . .
C1 C2 H2 119.8 . .
C4 C3 C2 120.1(3) . .
C4 C3 H3 119.9 . .
C2 C3 H3 119.9 . .
C3 C4 C5 119.9(3) . .
C3 C4 H4 120.1 . .
C5 C4 H4 120.1 . .
C6 C5 C4 120.1(3) . .
C6 C5 H5 119.9 . .
C4 C5 H5 119.9 . .
C5 C6 C1 120.7(3) . .
C5 C6 H6 119.7 . .
C1 C6 H6 119.7 . .
C12 C7 C8 118.7(3) . .
C12 C7 P1 120.4(2) . .
C8 C7 P1 120.8(2) . .
C9 C8 C7 120.6(3) . .
C9 C8 H8 119.7 . .
C7 C8 H8 119.7 . .
C10 C9 C8 120.4(3) . .
C10 C9 H9 119.8 . .
C8 C9 H9 119.8 . .
C9 C10 C11 119.9(3) . .
C9 C10 H10 120.0 . .
C11 C10 H10 120.0 . .
C10 C11 C12 120.0(3) . .
C10 C11 H11 120.0 . .
C12 C11 H11 120.0 . .
C11 C12 C7 120.3(3) . .
C11 C12 H12 119.8 . .
C7 C12 H12 119.8 . .
C17 O3 C20 106.2(2) . .
C17 O3 Li1 129.3(2) . .
C20 O3 Li1 124.0(2) . .
O3 C17 C18 107.0(3) . .
O3 C17 H17A 110.3 . .
C18 C17 H17A 110.3 . .
O3 C17 H17B 110.3 . .
C18 C17 H17B 110.3 . .
H17A C17 H17B 108.6 . .
C17 C18 C19 105.0(3) . .
C17 C18 H18A 110.8 . .
C19 C18 H18A 110.8 . .
C17 C18 H18B 110.8 . .
C19 C18 H18B 110.8 . .
H18A C18 H18B 108.8 . .
C20 C19 C18 104.4(3) . .
C20 C19 H19A 110.9 . .
C18 C19 H19A 110.9 . .
C20 C19 H19B 110.9 . .
C18 C19 H19B 110.9 . .
H19A C19 H19B 108.9 . .
O3 C20 C19 105.0(3) . .
O3 C20 H20A 110.7 . .
C19 C20 H20A 110.7 . .
O3 C20 H20B 110.7 . .
C19 C20 H20B 110.7 . .
H20A C20 H20B 108.8 . .
C21 O4 C24 108.5(3) . .
O4 C21 C22 110.0(4) . .
O4 C21 H21A 109.7 . .
C22 C21 H21A 109.7 . .
O4 C21 H21B 109.7 . .
C22 C21 H21B 109.7 . .
H21A C21 H21B 108.2 . .
C21 C22 C23 102.4(4) . .
C21 C22 H22A 111.3 . .
C23 C22 H22A 111.3 . .
C21 C22 H22B 111.3 . .
C23 C22 H22B 111.3 . .
H22A C22 H22B 109.2 . .
C24 C23 C22 101.3(5) . .
C24 C23 H23A 111.5 . .
C22 C23 H23A 111.5 . .
C24 C23 H23B 111.5 . .
C22 C23 H23B 111.5 . .
H23A C23 H23B 109.3 . .
O4 C24 C23 106.0(3) . .
O4 C24 H24A 110.5 . .
C23 C24 H24A 110.5 . .
O4 C24 H24B 110.5 . .
C23 C24 H24B 110.5 . .
H24A C24 H24B 108.7 . .
C21' O4' C24' 104.2(17) . .
O4' C21' C22' 110.4(17) . .
O4' C21' H21C 109.6 . .
C22' C21' H21C 109.6 . .
O4' C21' H21D 109.6 . .
C22' C21' H21D 109.6 . .
H21C C21' H21D 108.1 . .
C21' C22' C23' 103.0(15) . .
C21' C22' H22C 111.2 . .
C23' C22' H22C 111.2 . .
C21' C22' H22D 111.2 . .
C23' C22' H22D 111.2 . .
H22C C22' H22D 109.1 . .
C24' C23' C22' 102(2) . .
C24' C23' H23C 111.4 . .
C22' C23' H23C 111.4 . .
C24' C23' H23D 111.4 . .
C22' C23' H23D 111.4 . .
H23C C23' H23D 109.3 . .
O4' C24' C23' 105.4(18) . .
O4' C24' H24C 110.7 . .
C23' C24' H24C 110.7 . .
O4' C24' H24D 110.7 . .
C23' C24' H24D 110.7 . .
H24C C24' H24D 108.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 N1 1.634(2) .
P1 C15 1.697(3) .
P1 C7 1.802(3) .
P1 C1 1.816(3) .
P1 Li1 3.048(5) .
N1 C13 1.313(4) .
C13 O2 1.246(3) .
C13 O1 1.364(3) .
O1 C14 1.424(4) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
O2 Li1 1.949(5) .
O2 Li1 1.963(5) 3_556
Li1 O2 1.963(5) 3_556
Li1 O3 1.979(5) .
Li1 C15 2.201(6) .
Li1 Li1 2.767(9) 3_556
C15 C16 1.516(4) .
C15 H15 0.91(3) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C1 C6 1.379(4) .
C1 C2 1.398(4) .
C2 C3 1.380(4) .
C2 H2 0.9500 .
C3 C4 1.370(5) .
C3 H3 0.9500 .
C4 C5 1.387(5) .
C4 H4 0.9500 .
C5 C6 1.377(5) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C12 1.391(4) .
C7 C8 1.393(4) .
C8 C9 1.377(4) .
C8 H8 0.9500 .
C9 C10 1.375(4) .
C9 H9 0.9500 .
C10 C11 1.382(4) .
C10 H10 0.9500 .
C11 C12 1.386(4) .
C11 H11 0.9500 .
C12 H12 0.9500 .
O3 C17 1.422(4) .
O3 C20 1.436(4) .
C17 C18 1.503(5) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 C19 1.509(5) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.493(5) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
O4 C21 1.357(5) .
O4 C24 1.424(5) .
C21 C22 1.503(6) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.514(6) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.496(8) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
O4' C21' 1.347(17) .
O4' C24' 1.437(18) .
C21' C22' 1.503(18) .
C21' H21C 0.9900 .
C21' H21D 0.9900 .
C22' C23' 1.512(18) .
C22' H22C 0.9900 .
C22' H22D 0.9900 .
C23' C24' 1.49(2) .
C23' H23C 0.9900 .
C23' H23D 0.9900 .
C24' H24C 0.9900 .
C24' H24D 0.9900 .
