(2<i>S</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>,6<i>S</i>)-6-Benzyloxymethyl-4-(methoxymethyloxy)-9-oxo-8-oxa-1-azabicyclo[4.3.0]nonane-2,3,5-triyl triacetate
Kani, Yoshiyuki; Ohba, Shigeru; Oishi, Takeshi; Ando, Koji; Inomiya, Kenjin; Chida, Noritaka; Acta Crystallographica Section C 56 (2000) e223–e223; doi:10.1107/S0108270100005618

data_2010963
_publ_section_title
;(2<i>S</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>,6<i>S</i>)-6-Benzyloxymethyl-4-(methoxymethyloxy)-9-oxo-8-oxa-1-azabicyclo[4.3.0]nonane-2,3,5-triyl
 triacetate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              e223
_journal_page_last               e223
_journal_paper_doi               10.1107/S0108270100005618
_journal_volume                  56
_journal_year                    2000
_chemical_formula_moiety         'C23 H29 N O11'
_chemical_formula_sum            'C23 H29 N O11'
_chemical_formula_weight         495.48
_space_group_IT_number           78
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4cw'
_symmetry_space_group_name_H-M   'P 43'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.381(2)
_cell_length_b                   14.381(2)
_cell_length_c                   12.265(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     2536.6(6)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1993)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1999)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_measured_fraction_theta_full .9996
_diffrn_measured_fraction_theta_max .9996
_diffrn_measurement_device_type  'Rigaku AFC-5S'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .010
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2844
_diffrn_reflns_theta_full        26
_diffrn_reflns_theta_max         26
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .104
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.297
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          .5
_exptl_crystal_size_mid          .5
_exptl_crystal_size_min          .5
_refine_diff_density_max         .16
_refine_diff_density_min         -.14
_refine_ls_abs_structure_details 'see text, no Friedel pair'
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.19
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     324
_refine_ls_number_reflns         2621
_refine_ls_R_factor_gt           .047
_refine_ls_shift/su_max          .026
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + {0.05(Fo^2^ + 2Fc^2^)/3}^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .116
_reflns_number_gt                1656
_reflns_number_total             2621
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            qa0282.cif
_cod_data_source_block           I
_cod_original_cell_volume        2536.4(7)
_cod_original_sg_symbol_Hall     'P 43'
_cod_database_code               2010963
_cod_database_fobs_code          2010963