Crystallography Open Database

Information card for entry 2240883

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Structure parameters

Chemical name	6-Bromo-7-fluoro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde
Formula	C10 H4 Br F O3
Calculated formula	C10 H4 Br F O3
SMILES	Brc1cc2c(=O)c(coc2cc1F)C=O
Title of publication	Crystal structure of 6-bromo-7-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	2015
Journal volume	71
Journal issue	7
Pages of publication	857 - 860
a	5.784 ± 0.003 Å
b	33.713 ± 0.014 Å
c	4.633 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	903.4 ± 0.8 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for all reflections included in the refinement	0.1232
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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
181908 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08	2240883.cif 2240883.hkl
139742	2015-06-28	cif/ hkl/ Adding structures of 2240883 via cif-deposit CGI script.	2240883.cif 2240883.hkl