(3<i>S</i>,8<i>S</i>)-3,8-Diisopropyl-1,6-dioxa-4,9-diaza-5λ^5^-phosphaspiro[4.4]nonane-2,7-dione
Cao, Shu-Xia; Liu, Jin-Ming; Xie Ya-Li; Liao, Xin-Cheng; Zhao, Yu-Fen; Acta Crystallographica Section E 62 (2006) o4642–o4643; doi:10.1107/S1600536806037792

data_2210577
_publ_section_title
(3<i>S</i>,8<i>S</i>)-3,8-Diisopropyl-1,6-dioxa-4,9-diaza-5\l^5^-phosphaspiro[4.4]nonane-2,7-dione
_journal_coeditor_code           DN2061
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o4642
_journal_page_last               o4643
_journal_paper_doi               10.1107/S1600536806037792
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'C10 H19 N2 O4 P'
_chemical_formula_moiety         'C10 H19 N2 O4 P'
_chemical_formula_sum            'C10 H19 N2 O4 P'
_chemical_formula_weight         262.24
_chemical_name_systematic
;
(3S,8S)-3,8-Diisopropyl-1,6-dioxa-4,9-diaza-5\l^5^-
phosphaspiro[4.4]nonane-2,7-dione
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.413(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.3925(17)
_cell_length_b                   6.0362(10)
_cell_length_c                   11.2115(19)
_cell_measurement_reflns_used    1216
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      20.37
_cell_measurement_theta_min      2.41
_cell_volume                     684.1(2)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics
;
ORTEPIII (Burnett & Johnson, 1996), ORTEP-3 for Windows (Farrugia,
1997) and
PLATON (Spek, 2003)
;
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX2 CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_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  0.0235
_diffrn_reflns_av_sigmaI/netI    0.0450
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4127
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.41
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.206
_exptl_absorpt_correction_T_max  0.9809
_exptl_absorpt_correction_T_min  0.9529
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.273
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             280
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.771
_refine_diff_density_min         -0.222
_refine_ls_abs_structure_details 'Flack (1983)'
_refine_ls_abs_structure_Flack   -0.05(16)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     161
_refine_ls_number_reflns         2471
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0651
_refine_ls_R_factor_gt           0.0526
_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/[\s^2^(Fo^2^)+(0.0824P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1251
_refine_ls_wR_factor_ref         0.1361
_reflns_number_gt                2053
_reflns_number_total             2471
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            dn2061.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2210577
_cod_database_fobs_code          2210577