Crystallography Open Database

Information card for entry 4104000

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Coordinates	4104000.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H21 Cl F3 O Sb
Calculated formula	C28 H21 Cl F3 O Sb
SMILES	[Sb]12(OC(c3c1cccc3)(c1c2cccc1)C(F)(F)F)(c1cc(cc(c1)C)C)c1ccc(Cl)cc1
Title of publication	Pentacoordinate Organoantimony Compounds That Isomerize by Turnstile Rotation
Authors of publication	Shiro Matsukawa; Hideaki Yamamichi; Yohsuke Yamamoto; Kaori Ando
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	3418 - 3419
a	11.965 ± 0.0006 Å
b	13.375 ± 0.0007 Å
c	16.849 ± 0.0008 Å
α	100.104 ± 0.002°
β	104.778 ± 0.002°
γ	101.806 ± 0.002°
Cell volume	2477.1 ± 0.2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1562
Residual factor for significantly intense reflections	0.0811
Weighted residual factors for significantly intense reflections	0.2043
Weighted residual factors for all reflections included in the refinement	0.2409
Goodness-of-fit parameter for all reflections included in the refinement	1.114
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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