Crystallography Open Database

Information card for entry 4511275

Preview

Coordinates	4511275.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-fluorophenylacetylene
Formula	C8 H5 F
Calculated formula	C8 H5 F
Title of publication	Polymorphism Arising from Differing Rates of Compression of Liquids
Authors of publication	Ridout, Joe; Price, Louise S.; Howard, Judith A. K.; Probert, Michael R.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	7
Pages of publication	3384
a	3.9343 ± 0.0007 Å
b	5.9336 ± 0.001 Å
c	12.962 ± 0.004 Å
α	90°
β	98.467 ± 0.009°
γ	90°
Cell volume	299.29 ± 0.12 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0566
Weighted residual factors for all reflections included in the refinement	0.063
Goodness-of-fit parameter for all reflections included in the refinement	1.181
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.56087 Å
Diffraction radiation type	AgKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179659 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/12.	4511275.cif
119050	2014-07-05	cif/ Updating files of 4511275, 4511276, 4511277 Original log message: Adding full bibliography for 4511275--4511277.cif.	4511275.cif
115954	2014-06-06	cif/ Adding structures of 4511275 via cif-deposit CGI script.	4511275.cif