Crystallography Open Database

Information card for entry 2238987

Preview

Structure parameters

Chemical name	1-Fluoro-4-[(<i>E</i>)-2-nitrovinyl]benzene
Formula	C8 H6 F N O2
Calculated formula	C8 H6 F N O2
Title of publication	1-Fluoro-4-[(<i>E</i>)-2-nitrovinyl]benzene
Authors of publication	Sreenivasa, S.; Nanjundaswamy, M. S.; Manojkumar, K. E.; Madankumar, S.; Lokanath, N. K.; Suchetan, P. A.
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	2
Pages of publication	o124
a	16.0965 ± 0.0014 Å
b	4.8453 ± 0.0004 Å
c	9.5538 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	745.12 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0869
Residual factor for significantly intense reflections	0.0781
Weighted residual factors for significantly intense reflections	0.192
Weighted residual factors for all reflections included in the refinement	0.2032
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181889 (current)	2016-04-06	hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/89.	2238987.cif 2238987.hkl
181308	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 2/23/89.	2238987.cif 2238987.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.	2238987.cif 2238987.hkl
104819	2014-03-11	cif/ hkl/ Adding structures of 2238987 via cif-deposit CGI script.	2238987.cif 2238987.hkl