Crystallography Open Database

Information card for entry 7713250

Preview

Coordinates	7713250.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H33 O2 Sb
Calculated formula	C27 H33 O2 Sb
SMILES	[Sb]1(OC(C)(C)C(O1)(C)C)(c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C
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	9.8252 ± 0.0001 Å
b	11.8813 ± 0.0002 Å
c	20.2807 ± 0.0003 Å
α	90°
β	90.787 ± 0.001°
γ	90°
Cell volume	2367.27 ± 0.06 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
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	0.0261
Residual factor for significantly intense reflections	0.0237
Weighted residual factors for significantly intense reflections	0.0614
Weighted residual factors for all reflections included in the refinement	0.0628
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	7713250.cif