#------------------------------------------------------------------------------
#$Date: 2019-03-05 10:52:05 +0200 (Tue, 05 Mar 2019) $
#$Revision: 213973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/06/7050649.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_7050649
loop_
_publ_author_name
'Formica, Mauro'
'Fusi, Vieri'
'Giorgi, Luca'
'Guerri, Annalisa'
'Lucarini, Simone'
'Micheloni, Mauro'
'Paoli, Paola'
'Pontellini, Roberto'
'Rossi, Patrizia'
'Tarzia, Giorgio'
'Zappia, Giovanni'
_publ_section_title
;
 New ligand bearing preorganized binding side-arms interacting with
 ammonium cations: Synthesis, conformational studies and crystal
 structureElectronic supplementary information (ESI) available:
 molecular modeling studies. See
 http://www.rsc.org/suppdata/nj/b3/b306778e/
;
_journal_issue                   11
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1575
_journal_paper_doi               10.1039/b306778e
_journal_volume                  27
_journal_year                    2003
_chemical_formula_moiety
;
(C24 H35 N6 O6 1+),(H2 O)8,(Cl 1-)
;
_chemical_formula_sum            'C24 H51 Cl N6 O14'
_chemical_formula_weight         682.15
_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           SHELXL-97
_cell_angle_alpha                95.45(4)
_cell_angle_beta                 98.14(4)
_cell_angle_gamma                118.46(3)
_cell_formula_units_Z            2
_cell_length_a                   9.506(4)
_cell_length_b                   9.904(3)
_cell_length_c                   20.616(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1659.5(12)
_computing_cell_refinement       'Siemens P4'
_computing_data_collection       'Siemens P4'
_computing_data_reduction        'Siemens P4'
_computing_molecular_graphics    'ORTEP (Farruggia, 1997)'
_computing_publication_material  'PARST97 (Nardelli, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare,1994)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Siemens P4'
_diffrn_measurement_method       θ/2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  0.0502
_diffrn_reflns_av_sigmaI/netI    0.0429
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            5850
_diffrn_reflns_theta_full        60.00
_diffrn_reflns_theta_max         60.00
_diffrn_reflns_theta_min         2.20
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.654
_exptl_absorpt_correction_type   'REFDELF (WALKER and STUART, 1983)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.365
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             730
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.6
_refine_diff_density_max         0.493
_refine_diff_density_min         -0.347
_refine_diff_density_rms         0.070
_refine_ls_extinction_coef       0.0042(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         4826
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0782
_refine_ls_R_factor_gt           0.0691
_refine_ls_shift/su_max          0.133
_refine_ls_shift/su_mean         0.009
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1365P)²+0.8532P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1972
_refine_ls_wR_factor_ref         0.2090
_reflns_number_gt                4082
_reflns_number_total             4826
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b306778e.txt
_cod_data_source_block           L
_cod_original_cell_volume        1659.5(10)
_cod_database_code               7050649
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
Cl1 Cl 0.69026(12) 0.38025(12) 0.49945(5) 0.0696(3) Uani 1 1 d . . .
O1 O 0.4394(4) 0.3931(3) 0.87300(17) 0.0967(11) Uani 1 1 d . . .
C1 C 0.5022(4) 0.5399(4) 0.88433(17) 0.0592(9) Uani 1 1 d . . .
C2 C 0.4646(6) 0.6222(9) 0.9320(2) 0.0917(16) Uani 1 1 d . . .
O2 O 0.3553(5) 0.5365(8) 0.96715(19) 0.159(2) Uani 1 1 d . . .
H2 H 0.3048 0.4447 0.9483 0.238 Uiso 1 1 calc R . .
C3 C 0.5342(10) 0.7793(11) 0.9406(3) 0.122(3) Uani 1 1 d . . .
H3 H 0.5079 0.8321 0.9721 0.146 Uiso 1 1 calc R . .
C4 C 0.6435(7) 0.8616(6) 0.9030(3) 0.101(2) Uani 1 1 d . . .
H4 H 0.6910 0.9698 0.9093 0.121 Uiso 1 1 calc R . .
C5 C 0.6828(5) 0.7857(4) 0.8567(2) 0.0635(10) Uani 1 1 d . . .
H5 H 0.7563 0.8405 0.8308 0.076 Uiso 1 1 calc R . .
N1 N 0.6116(3) 0.6268(3) 0.84912(12) 0.0467(6) Uani 1 1 d . . .
C6 C 0.6504(4) 0.5451(4) 0.79823(16) 0.0544(8) Uani 1 1 d . . .
H6A H 0.6640 0.4633 0.8153 0.065 Uiso 1 1 calc R . .
H6B H 0.7526 0.6178 0.7872 0.065 Uiso 1 1 calc R . .
C7 C 0.5139(4) 0.4738(3) 0.73569(15) 0.0432(7) Uani 1 1 d . . .
O3 O 0.3953(3) 0.4933(2) 0.73305(11) 0.0525(6) Uani 1 1 d . . .
N2 N 0.5323(3) 0.3935(3) 0.68415(12) 0.0417(6) Uani 1 1 d . . .
C8 C 0.6741(4) 0.3707(3) 0.68676(17) 0.0478(8) Uani 1 1 d . . .
H8A H 0.7712 0.4658 0.7110 0.057 Uiso 1 1 calc R . .
H8B H 0.6884 0.3531 0.6416 0.057 Uiso 1 1 calc R . .
C9 C 0.6608(4) 0.2351(3) 0.71947(16) 0.0459(7) Uani 1 1 d . . .
H9A H 0.7693 0.2481 0.7321 0.055 Uiso 1 1 calc R . .
H9B H 0.6208 0.2392 0.7600 0.055 Uiso 1 1 calc R . .
N3 N 0.5510(3) 0.0783(3) 0.67666(12) 0.0399(6) Uani 1 1 d . . .
HN3 H 0.419(8) 0.063(7) 0.658(3) 0.16(2) Uiso 1 1 d . . .
C10 C 0.6293(4) 0.0539(4) 0.62226(17) 0.0529(8) Uani 1 1 d . . .
H10A H 0.5575 -0.0474 0.5948 0.079 Uiso 1 1 calc R . .
H10B H 0.7309 0.0603 0.6414 0.079 Uiso 1 1 calc R . .
H10C H 0.6498 0.1329 0.5955 0.079 Uiso 1 1 calc R . .
C11 C 0.5221(4) -0.0415(3) 0.71969(16) 0.0455(7) Uani 1 1 d . . .
H11A H 0.4969 -0.0091 0.7603 0.055 Uiso 1 1 calc R . .
H11B H 0.6226 -0.0449 0.7322 0.055 Uiso 1 1 calc R . .
C12 C 0.3849(4) -0.2054(3) 0.68729(16) 0.0472(7) Uani 1 1 d . . .
H12A H 0.3955 -0.2279 0.6420 0.057 Uiso 1 1 calc R . .
H12B H 0.3978 -0.2796 0.7114 0.057 Uiso 1 1 calc R . .
N4 N 0.2200(3) -0.2291(3) 0.68547(12) 0.0419(6) Uani 1 1 d . . .
C13 C 0.1221(4) -0.2332(3) 0.62259(14) 0.0478(8) Uani 1 1 d . . .
H13A H 0.0119 -0.3208 0.6162 0.057 Uiso 1 1 calc R . .
H13B H 0.1688 -0.2511 0.5861 0.057 Uiso 1 1 calc R . .
C14 C 0.1125(4) -0.0849(3) 0.61945(15) 0.0460(7) Uani 1 1 d . . .
H14A H 0.0192 -0.1086 0.5849 0.055 Uiso 1 1 calc R . .
H14B H 0.0934 -0.0518 0.6616 0.055 Uiso 1 1 calc R . .
N5 N 0.2618(3) 0.0471(3) 0.60577(11) 0.0399(6) Uani 1 1 d . . .
C15 C 0.2747(5) 0.0149(4) 0.53556(15) 0.0550(8) Uani 1 1 d . . .
H15A H 0.2811 -0.0790 0.5280 0.082 Uiso 1 1 calc R . .
H15B H 0.3714 0.1008 0.5275 0.082 Uiso 1 1 calc R . .
H15C H 0.1800 0.0020 0.5059 0.082 Uiso 1 1 calc R . .
C16 C 0.2516(4) 0.1925(3) 0.61886(16) 0.0461(7) Uani 1 1 d . . .
H16A H 0.2186 0.1980 0.6610 0.055 Uiso 1 1 calc R . .
H16B H 0.1673 0.1863 0.5842 0.055 Uiso 1 1 calc R . .
C17 C 0.4109(4) 0.3415(3) 0.62141(15) 0.0469(7) Uani 1 1 d . . .
H17A H 0.4589 0.3252 0.5850 0.056 Uiso 1 1 calc R . .
H17B H 0.3865 0.4242 0.6143 0.056 Uiso 1 1 calc R . .
O4 O 0.0081(3) -0.2823(3) 0.73598(11) 0.0509(6) Uani 1 1 d . . .
C18 C 0.1462(4) -0.2629(3) 0.73747(14) 0.0403(7) Uani 1 1 d . . .
C19 C 0.2397(4) -0.2802(4) 0.79985(15) 0.0470(7) Uani 1 1 d . . .
H19A H 0.2658 -0.3617 0.7884 0.056 Uiso 1 1 calc R . .
H19B H 0.3416 -0.1830 0.8173 0.056 Uiso 1 1 calc R . .
N6 N 0.1417(3) -0.3195(3) 0.85063(12) 0.0447(6) Uani 1 1 d . . .
C20 C 0.0466(4) -0.4741(4) 0.85483(16) 0.0509(8) Uani 1 1 d . . .
H20 H 0.0491 -0.5513 0.8263 0.061 Uiso 1 1 calc R . .
C21 C -0.0489(4) -0.5147(4) 0.89924(17) 0.0579(9) Uani 1 1 d . . .
H21 H -0.1120 -0.6193 0.9020 0.070 Uiso 1 1 calc R . .
C22 C -0.0532(4) -0.3973(4) 0.94204(17) 0.0593(9) Uani 1 1 d . . .
H22 H -0.1196 -0.4243 0.9731 0.071 Uiso 1 1 calc R . .
C23 C 0.0396(4) -0.2450(4) 0.93785(16) 0.0553(8) Uani 1 1 d . . .
O5 O 0.0459(4) -0.1227(3) 0.97648(15) 0.0793(8) Uani 1 1 d . . .
HO5 H -0.012(6) -0.159(6) 1.014(3) 0.102(16) Uiso 1 1 d . . .
C24 C 0.1415(4) -0.1997(4) 0.89030(16) 0.0500(8) Uani 1 1 d . . .
O6 O 0.2272(3) -0.0609(3) 0.88360(13) 0.0670(7) Uani 1 1 d . . .
O7 O 0.1355(4) 0.1808(4) 0.92782(15) 0.0815(8) Uani 1 1 d . . .
O8 O -0.0410(6) 0.1268(5) 0.7919(3) 0.1415(18) Uani 1 1 d . . .
O9 O 0.0576(4) 0.3605(4) 0.69870(19) 0.1011(11) Uani 1 1 d . . .
O10 O 0.2815(5) 0.1172(4) 0.77648(17) 0.1109(13) Uani 1 1 d . . .
O11 O 0.5662(5) 0.1880(5) 0.9080(2) 0.1197(13) Uani 1 1 d . . .
O12 O 1.0106(4) 0.3632(4) 0.56000(19) 0.0947(10) Uani 1 1 d . . .
O13 O 0.3256(4) 0.3102(4) 0.44063(18) 0.0937(10) Uani 1 1 d . . .
O14 O 0.2154(5) 0.1853(5) 0.30247(19) 0.1040(11) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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
O1 C1 N1 119.7(4) . . ?
O1 C1 C2 124.0(4) . . ?
N1 C1 C2 116.4(4) . . ?
O2 C2 C3 122.5(6) . . ?
O2 C2 C1 116.8(6) . . ?
C3 C2 C1 120.8(5) . . ?
C2 O2 H2 109.5 . . ?
C2 C3 C4 120.4(4) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 H3 119.8 . . ?
C5 C4 C3 120.3(5) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.8 . . ?
C4 C5 N1 118.3(5) . . ?
C4 C5 H5 120.9 . . ?
N1 C5 H5 120.9 . . ?
C1 N1 C5 123.9(3) . . ?
C1 N1 C6 117.9(3) . . ?
C5 N1 C6 118.2(3) . . ?
N1 C6 C7 110.4(3) . . ?
N1 C6 H6A 109.6 . . ?
C7 C6 H6A 109.6 . . ?
N1 C6 H6B 109.6 . . ?
C7 C6 H6B 109.6 . . ?
H6A C6 H6B 108.1 . . ?
O3 C7 N2 122.6(3) . . ?
O3 C7 C6 120.2(3) . . ?
N2 C7 C6 117.2(3) . . ?
C7 N2 C8 122.9(3) . . ?
C7 N2 C17 116.9(3) . . ?
C8 N2 C17 119.9(2) . . ?
N2 C8 C9 114.2(2) . . ?
N2 C8 H8A 108.7 . . ?
C9 C8 H8A 108.7 . . ?
N2 C8 H8B 108.7 . . ?
C9 C8 H8B 108.7 . . ?
H8A C8 H8B 107.6 . . ?
N3 C9 C8 114.3(3) . . ?
N3 C9 H9A 108.7 . . ?
C8 C9 H9A 108.7 . . ?
N3 C9 H9B 108.7 . . ?
C8 C9 H9B 108.7 . . ?
H9A C9 H9B 107.6 . . ?
C9 N3 C10 110.1(2) . . ?
C9 N3 C11 107.9(2) . . ?
C10 N3 C11 110.1(2) . . ?
C9 N3 HN3 110(3) . . ?
C10 N3 HN3 114(3) . . ?
C11 N3 HN3 104(3) . . ?
N3 C10 H10A 109.5 . . ?
N3 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
N3 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N3 C11 C12 114.5(3) . . ?
N3 C11 H11A 108.6 . . ?
C12 C11 H11A 108.6 . . ?
N3 C11 H11B 108.6 . . ?
C12 C11 H11B 108.6 . . ?
H11A C11 H11B 107.6 . . ?
N4 C12 C11 114.4(2) . . ?
N4 C12 H12A 108.7 . . ?
C11 C12 H12A 108.7 . . ?
N4 C12 H12B 108.7 . . ?
C11 C12 H12B 108.7 . . ?
H12A C12 H12B 107.6 . . ?
C18 N4 C12 122.7(2) . . ?
C18 N4 C13 117.4(3) . . ?
C12 N4 C13 119.5(2) . . ?
N4 C13 C14 114.2(2) . . ?
N4 C13 H13A 108.7 . . ?
C14 C13 H13A 108.7 . . ?
N4 C13 H13B 108.7 . . ?
C14 C13 H13B 108.7 . . ?
H13A C13 H13B 107.6 . . ?
N5 C14 C13 114.2(3) . . ?
N5 C14 H14A 108.7 . . ?
C13 C14 H14A 108.7 . . ?
N5 C14 H14B 108.7 . . ?
C13 C14 H14B 108.7 . . ?
H14A C14 H14B 107.6 . . ?
C15 N5 C14 110.4(2) . . ?
C15 N5 C16 110.6(2) . . ?
C14 N5 C16 108.4(2) . . ?
N5 C15 H15A 109.5 . . ?
N5 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
N5 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N5 C16 C17 114.0(3) . . ?
N5 C16 H16A 108.8 . . ?
C17 C16 H16A 108.8 . . ?
N5 C16 H16B 108.8 . . ?
C17 C16 H16B 108.8 . . ?
H16A C16 H16B 107.7 . . ?
N2 C17 C16 114.4(2) . . ?
N2 C17 H17A 108.7 . . ?
C16 C17 H17A 108.7 . . ?
N2 C17 H17B 108.6 . . ?
C16 C17 H17B 108.6 . . ?
H17A C17 H17B 107.6 . . ?
O4 C18 N4 122.7(3) . . ?
O4 C18 C19 119.8(3) . . ?
N4 C18 C19 117.5(3) . . ?
N6 C19 C18 110.4(2) . . ?
N6 C19 H19A 109.6 . . ?
C18 C19 H19A 109.6 . . ?
N6 C19 H19B 109.6 . . ?
C18 C19 H19B 109.6 . . ?
H19A C19 H19B 108.1 . . ?
C24 N6 C20 122.6(3) . . ?
C24 N6 C19 118.1(3) . . ?
C20 N6 C19 119.3(3) . . ?
C21 C20 N6 120.9(3) . . ?
C21 C20 H20 119.6 . . ?
N6 C20 H20 119.6 . . ?
C20 C21 C22 119.4(3) . . ?
C20 C21 H21 120.3 . . ?
C22 C21 H21 120.3 . . ?
C23 C22 C21 119.9(3) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C22 C23 O5 125.0(3) . . ?
C22 C23 C24 121.4(3) . . ?
O5 C23 C24 113.6(3) . . ?
C23 O5 HO5 110(3) . . ?
O6 C24 N6 120.3(3) . . ?
O6 C24 C23 123.9(3) . . ?
N6 C24 C23 115.8(3) . . ?
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
O1 C1 1.262(5) . ?
C1 N1 1.352(5) . ?
C1 C2 1.408(7) . ?
C2 O2 1.348(7) . ?
C2 C3 1.350(9) . ?
O2 H2 0.8200 . ?
C3 C4 1.372(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.360(7) . ?
C4 H4 0.9300 . ?
C5 N1 1.367(4) . ?
C5 H5 0.9300 . ?
N1 C6 1.457(4) . ?
C6 C7 1.525(4) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 O3 1.226(4) . ?
C7 N2 1.348(4) . ?
N2 C8 1.464(4) . ?
N2 C17 1.468(4) . ?
C8 C9 1.519(4) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 N3 1.488(4) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
N3 C10 1.492(4) . ?
N3 C11 1.494(4) . ?
N3 HN3 1.19(7) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.520(4) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 N4 1.464(4) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
N4 C18 1.345(4) . ?
N4 C13 1.470(4) . ?
C13 C14 1.521(4) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 N5 1.489(4) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
N5 C15 1.487(4) . ?
N5 C16 1.491(4) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C17 1.519(4) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
O4 C18 1.228(4) . ?
C18 C19 1.528(4) . ?
C19 N6 1.457(4) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
N6 C24 1.376(4) . ?
N6 C20 1.378(4) . ?
C20 C21 1.335(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.412(5) . ?
C21 H21 0.9300 . ?
C22 C23 1.356(5) . ?
C22 H22 0.9300 . ?
C23 O5 1.356(5) . ?
C23 C24 1.427(5) . ?
O5 HO5 1.01(6) . ?
C24 O6 1.254(4) . ?
