Inhibition of peroxynitrite- and peroxidase-mediated protein tyrosine nitration by imidazole-based thiourea and selenourea derivatives.
Bhabak, Krishna P.; Satheeshkumar, Kandhan; Jayavelu, Subramaniam; Mugesh, Govindasamy; Organic & biomolecular chemistry 9 (2011) 7343–7350; doi:10.1039/c1ob05773a

data_7152037
_publ_section_title
;
 Inhibition of peroxynitrite- and peroxidase-mediated protein tyrosine
 nitration by imidazole-based thiourea and selenourea derivatives.
;
_journal_issue                   21
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              7343
_journal_page_last               7350
_journal_paper_doi               10.1039/c1ob05773a
_journal_volume                  9
_journal_year                    2011
_chemical_formula_moiety         'C13 H20 N4 Se2'
_chemical_formula_sum            'C13 H20 N4 Se2'
_chemical_formula_weight         390.25
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_cell_formula_units_Z            8
_cell_length_a                   11.7252(9)
_cell_length_b                   8.7848(7)
_cell_length_c                   33.465(3)
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_cell_measurement_temperature    291(2)
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_computing_cell_refinement       'Bruker SMART'
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_computing_molecular_graphics    'Ortep-3 for windows (Farrugia, 1997)'
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_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      291(2)
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'calc w=1/[\s^2^(Fo^2^)+(0.0655P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_depositor_comments
;
The following automatic conversions were performed:

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

'_exptl_absorpt_correction_type' value 'Empirical'
changed to 'empirical' 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 
;
_cod_original_cell_volume        3447.1(5)
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               7152037