Geometry and bond-length alternation in nonlinear optical materials. II. Effects of donor strength in two push–pull molecules
Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.; Acta Crystallographica Section C 64 (2008) o195–o198; doi:10.1107/S0108270108005593

data_2016538
_publ_section_title
;
 Geometry and bond-length alternation in nonlinear optical materials.
 II. Effects of donor strength in two push--pull molecules
;
_journal_coeditor_code           FG3054
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_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              o195
_journal_page_last               o198
_journal_paper_doi               10.1107/S0108270108005593
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          'C20 H16 N4 O2'
_chemical_formula_moiety         'C20 H16 N4 O2'
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_chemical_name_systematic
;
N-[2-(4-cyano-5-dicyanomethylene-2,2-dimethyl-2,5-dihydrofuran-3-yl)vinyl]-
N-phenylacetamide
;
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SAINT (Bruker, 2005)  and SADABS (Sheldrick, 2003)
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_computing_molecular_graphics
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ORTEP (Farrugia, 1997) and PLATON (Spek, 2003)
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SHELXL97 (Sheldrick, 2008) and PLATON (Spek, 2003)
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Bruker--Nonius APEXII CCD area-detector diffractometer
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'calc w=1/[\s^2^(Fo^2^)+(0.0373P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (4
times).

'_geom_torsion_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (2 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (4
times).

'_geom_torsion_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (2 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1772.5(6)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2016538
_cod_database_fobs_code          2016538