Crystallography Open Database

Information card for entry 7053451

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Structure parameters

Formula	C37 H23 As Cl2 F20 O3
Calculated formula	C37 H23 As Cl2 F20 O3
SMILES	[As]12(OC(c3c1cccc3)(C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F)(OC(c1c2cccc1)(C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F)CC(O)(c1ccccc1)c1ccccc1.ClCCl
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	39.9674 ± 0.0001 Å
b	9.583 ± 0.0005 Å
c	26.4609 ± 0.0006 Å
α	90°
β	127.4 ± 0.001°
γ	90°
Cell volume	8051.2 ± 0.5 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0889
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1789
Weighted residual factors for all reflections included in the refinement	0.2053
Goodness-of-fit parameter for all reflections included in the refinement	1.162
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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