(<i>S</i>)-3-(1,1-Dimethyloxycarbonylamino)-1-phenylmethyloxypiperidine-2,6-dione, C~17~H~22~N~2~O~5~
Tomas, A.; Lemoine, P.; Viossat, B.; Robin, S.; Zhu, J.; Galons, H.; Acta Crystallographica Section C 52 (1996) 199–201; doi:10.1107/S010827019500905X

data_2004396
_publ_section_title
;(<i>S</i>)-3-(1,1-Dimethyloxycarbonylamino)-1-phenylmethyloxypiperidine-2,6-dione,
 C~17~H~22~N~2~O~5~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              199
_journal_page_last               201
_journal_paper_doi               10.1107/S010827019500905X
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C17 H22 N2 O5'
_chemical_formula_weight         334.37
_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_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 106.07(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.260(7)
_cell_length_b                   10.819(5)
_cell_length_c                   16.266(9)
_cell_measurement_reflns_used    21
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      15.7
_cell_measurement_theta_min      4.55
_cell_volume                     1735.0(18)
_diffrn_measurement_device       'Syntex P2~1~'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3107
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        <0.02
_diffrn_standards_interval_count 50
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.089
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.28
_exptl_crystal_density_meas      1.28(2)
_exptl_crystal_density_method    'flotation in CH^2^Cl^2^/C^6^H^12^'
_exptl_crystal_description       parallelepiped
_exptl_crystal_size_max          0.425
_exptl_crystal_size_mid          0.425
_exptl_crystal_size_min          0.075
_refine_diff_density_max         0.12
_refine_diff_density_min         -0.13
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.01
_refine_ls_hydrogen_treatment    'H atoms refined isotropically'
_refine_ls_number_parameters     286
_refine_ls_number_reflns         1384
_refine_ls_R_factor_obs          0.058
_refine_ls_shift/esd_max         0.07
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.06
_reflns_number_observed          1384
_reflns_number_total             3107
_reflns_observed_criterion       F>3\s(F)
_cod_data_source_file            ka1119.cif
_cod_data_source_block           ka1119a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_cell_measurement_temperature' value 'room' was changed to '295(2)'
- the room/ambient temperature average [293;298] in Kelvins(K) was
taken.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_cell_measurement_temperature' value 'room' was changed to '295(2)'
- the room/ambient temperature average [293;298] in Kelvins(K) was
taken.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(F)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/\s^2^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1735.0(10)
_cod_original_sg_symbol_Hall     'P 2y1'
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2004396