Investigations on benz[1,2]oxaphosphinane derivatives
Małecka, Magdalena; Budzisz, Elżbieta; Acta Crystallographica Section C 57 (2001) 929–931; doi:10.1107/S0108270101006734

data_2012146
_publ_section_title
;
 Investigations on benz[1,2]oxaphosphinane derivatives
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              929
_journal_page_last               931
_journal_paper_doi               10.1107/S0108270101006734
_journal_volume                  57
_journal_year                    2001
_chemical_formula_moiety         'C13 H16 N O5 P'
_chemical_formula_sum            'C13 H16 N O5 P'
_chemical_formula_weight         297.24
_chemical_name_systematic
;
2-methoxy-3-[1(2-hydroxyethylamine)ethylidene]-2,3-dihydro-2,4-dioxo-
2\l^5^-benzo[e][1,2]oxaphosphinane
;
_space_group_IT_number           19
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_symmetry_space_group_name_Hall  'P 2ac 2ab'
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_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
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_cell_length_b                   9.6620(10)
_cell_length_c                   15.619(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
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_computing_data_collection
;MSC/AFC Diffractometer Control Software (Molecular Structure Corporation,
 1989a)
;
_computing_data_reduction        'TEXSAN (1989b)'
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_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device_type  'AFC5S Rigaku'
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_diffrn_reflns_limit_l_min       -18
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_diffrn_reflns_theta_min         5.52
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_exptl_absorpt_process_details   '(De Meulenar & Tompa, 1965)'
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_refine_ls_abs_structure_details '(Flack, 1983)'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
w = [1.00000exp(3.00(sin\q/\l)^2^)]/
   [\s^2^(Fo^2^)+(0.1052P)^2^]
 where P = (Fo^2^ + 2Fc^2^)/3
;
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value ' analytical' changed to
'analytical' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_refine_ls_weighting_scheme' value ' calc' changed to
'calc' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

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

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1407.40(10)
_cod_database_code               2012146
_cod_database_fobs_code          2012146