<i>O</i>-Phospho-<small>DL</small>-threonine and <i>O</i>-Phospho-<small>L</small>-threonine Compared with their Serine Analogs
Maniukiewicz, W.; Kwiatkowski, W.; Blessing, R. H.; Acta Crystallographica Section C 52 (1996) 1736–1741; doi:10.1107/S0108270195015708

data_2005082
_publ_section_title
;
 <i>O</i>-Phospho-<small>DL</small>-threonine and
 <i>O</i>-Phospho-<small>L</small>-threonine Compared with their Serine
 Analogs
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1736
_journal_page_last               1741
_journal_paper_doi               10.1107/S0108270195015708
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C4 H10 N O6 P'
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_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_type_scat_source
'Cromer & Waber (1974), and Stewart, Davidson & Simpson (1965) (H)'
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_cell_angle_beta                 90
_cell_angle_gamma                90
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_cell_length_c                   11.766(2)
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_cell_measurement_temperature    295
_cell_measurement_theta_max      20
_cell_measurement_theta_min      10
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_diffrn_measurement_device       'Siemens P3'
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_diffrn_standards_decay_%        <3
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_refine_ls_extinction_method
"|F~c~|' = |F~c~|(1+g\l^3^|F~c~|^2^/sin2\q)^-1/4^"
_refine_ls_goodness_of_fit_obs   2.38
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/\s^2^(|F|^2^)
_refine_ls_weighting_scheme      calc
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_reflns_number_observed          762
_reflns_number_total             821
_reflns_observed_criterion       |F|^2^>=3\s(|F|^2^)
_cod_data_source_file            bk1167.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' w=1/\s^2^(|F|^2^)' 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|^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        777.9(2)
_cod_database_code               2005082