Crystallography Open Database

Information card for entry 7118889

Preview

Coordinates	7118889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H6 F4
Calculated formula	C5 H6 F4
SMILES	F[C@H]1[C@@H](F)[C@@H](F)[C@@H](F)C1
Title of publication	Polar alicyclic rings: synthesis and structure of all cis-1,2,3,4-tetrafluorocyclopentane.
Authors of publication	Fang, Zeguo; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; Bühl, Michael; O'Hagan, David
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	29
Pages of publication	5116 - 5119
a	10.115 ± 0.0019 Å
b	4.5875 ± 0.0011 Å
c	11.876 ± 0.003 Å
α	90°
β	90.026 ± 0.018°
γ	90°
Cell volume	551.1 ± 0.2 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0638
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1575
Weighted residual factors for all reflections included in the refinement	0.161
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
181559 (current)	2016-04-05	cif/ Updating files of 7118889 Original log message: Adding full bibliography for 7118889.cif.	7118889.cif
178150	2016-03-12	cif/ Adding structures of 7118889 via cif-deposit CGI script.	7118889.cif