Crystallography Open Database

Information card for entry 2239367

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Structure parameters

Chemical name	6-Fluoro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde
Formula	C10 H5 F O3
Calculated formula	C10 H5 F O3
SMILES	O=Cc1coc2c(c1=O)cc(cc2)F
Title of publication	6-Fluoro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde
Authors of publication	Ishikawa, Yoshinobu
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	5
Pages of publication	o583
a	7.853 ± 0.0019 Å
b	5.602 ± 0.0017 Å
c	17.987 ± 0.005 Å
α	90°
β	95.09 ± 0.02°
γ	90°
Cell volume	788.2 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.036
Weighted residual factors for all reflections included in the refinement	0.1063
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181893 (current)	2016-04-06	hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/93.	2239367.cif 2239367.hkl
181312	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/93.	2239367.cif 2239367.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2239367.cif 2239367.hkl
110441	2014-04-19	cif/ hkl/ Adding structures of 2239367 via cif-deposit CGI script.	2239367.cif 2239367.hkl