cis-6-Methoxycarbonyl-2,10-dioxa-1-phosphabicyclo[4.4.0]decane 1-Oxide
Lane, Thomas M.; Rodriguez, Oscar P.; Sommese, Anthony G.; Cremer, Sheldon E.; Bennett, Dennis W.; Acta Crystallographica, Section C: Crystal Structure Communications 51 (1995) 251–253; doi:10.1107/S0108270194008607

data_2003193
_publ_section_title
;
 cis-6-Methoxycarbonyl-2,10-dioxa-1-phosphabicyclo[4.4.0]decane 1-Oxide
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   2
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              251
_journal_page_last               253
_journal_paper_doi               10.1107/S0108270194008607
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C9 H15 O5 P'
_chemical_formula_sum            'C9 H15 O5 P'
_chemical_formula_weight         234.12
_symmetry_space_group_name_H-M   'P b c a'
_atom_type_scat_source
;International Tables for X-ray Crystallography (1974, Vol. IV, Tables 2.2B
and 2.3.1)

The data globally sorted and collected using PCXTL data
collection software (Weinrach & Bennett, 1991)
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   26.377(4)
_cell_length_b                   8.297(2)
_cell_length_c                   9.994(2)
_cell_measurement_reflns_used    21
_cell_measurement_temperature    298
_cell_measurement_theta_max      7.91
_cell_measurement_theta_min      3.09
_cell_volume                     2187.2(8)
_diffrn_measurement_device       'Picker diffractometer'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           ' Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1690
_diffrn_reflns_theta_max         23.5
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.24
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.422
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         -0.260
_refine_diff_density_min         0.220
_refine_ls_extinction_coef       0.0042(3)
_refine_ls_extinction_method
'F~c~^*^ = kF~c~[1+0.001xF~c~^2^\l^3^/sin(2\q)]'
_refine_ls_goodness_of_fit_obs   2.55
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     138
_refine_ls_number_reflns         1021
_refine_ls_R_factor_obs          0.034
_refine_ls_shift/esd_max         0.304
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.055
_reflns_number_observed          1021
_reflns_number_total             1426
_reflns_observed_criterion       I>2.0\s(I)
_cod_database_code               2003193