Synthesis, characterization, and binding property of isoelectronic analogues of nucleobases, B(6)-substituted 5-aza-6-borauracils and -thymines.
Ito, Hiroshi; Yumura, Kyohei; Saigo, Kazuhiko; Organic letters 12 (2010) 3386–3389; doi:10.1021/ol1012058

data_1503072
_publ_section_title
;
 Synthesis, characterization, and binding property of isoelectronic
 analogues of nucleobases, B(6)-substituted 5-aza-6-borauracils and
 -thymines.
;
_journal_issue                   15
_journal_name_full               'Organic letters'
_journal_page_first              3386
_journal_page_last               3389
_journal_paper_doi               10.1021/ol1012058
_journal_volume                  12
_journal_year                    2010
_chemical_formula_moiety         '(C12 H16 B N3 O2)2'
_chemical_formula_sum            'C12 H16 B N3 O2'
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_diffrn_ambient_temperature      103(2)
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_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.260
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_exptl_crystal_description       Prism
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'calc w=1/[\s^2^(Fo^2^)+(0.0861P)^2^+0.2453P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_chemical_melting_point' tag was changed to
'_chemical_melting_point_gt' since the value was specified 'more
than' ('>') a certain temperature. The value '>220' was changed to
'220' - it should be numeric and without a unit
designator.

'_symmetry_cell_setting' value 'Triclinic' changed to
'triclinic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1503072