Crystallography Open Database

Information card for entry 7713252

Preview

Coordinates	7713252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H29 O2 Sb
Calculated formula	C25 H29 O2 Sb
SMILES	[Sb]1(O[C@@H]([C@H](O1)C)C)(c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1
Title of publication	Models of the putative antimony(V)-diolate motifs in antileishmanial pentavalent antimonial drugs.
Authors of publication	Lindquist-Kleissler, Brent; Johnstone, Timothy C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
a	13.8114 ± 0.0001 Å
b	11.4705 ± 0.0001 Å
c	28.9055 ± 0.0002 Å
α	90°
β	103.897 ± 0.001°
γ	90°
Cell volume	4445.27 ± 0.06 Å³
Cell temperature	100.5 ± 0.9 K
Ambient diffraction temperature	100.5 ± 0.9 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0205
Residual factor for significantly intense reflections	0.0204
Weighted residual factors for significantly intense reflections	0.0531
Weighted residual factors for all reflections included in the refinement	0.0531
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
284608 (current)	2023-06-29	cif/ Adding structures of 7713246, 7713247, 7713248, 7713249, 7713250, 7713251, 7713252, 7713253 via cif-deposit CGI script.	7713252.cif