Crystallography Open Database

Information card for entry 7053447

Preview

Coordinates	7053447.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H13 As F12 O3
Calculated formula	C20 H13 As F12 O3
SMILES	c12ccccc1C(C(F)(F)F)(C(F)(F)F)O[As]12(c2ccccc2C(C(F)(F)F)(C(F)(F)F)O1)CCO
Title of publication	Formation of epoxides from pentacoordinated organoarsenic compounds with a β-hydroxyethyl group
Authors of publication	Jiang, Xin-Dong; Matsukawa, Shiro; Fukuzaki, Yuta; Yamamoto, Yohsuke
Journal of publication	New Journal of Chemistry
Year of publication	2010
Journal volume	34
Journal issue	8
Pages of publication	1623
a	9.811 ± 0.0001 Å
b	17.193 ± 0.0003 Å
c	24.807 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4184.46 ± 0.12 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.1146
Weighted residual factors for all reflections included in the refinement	0.1305
Goodness-of-fit parameter for all reflections included in the refinement	1.123
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7053447.html