Crystallography Open Database

Information card for entry 1558422

Preview

Coordinates	1558422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 F15 Sb
Calculated formula	C18 F15 Sb
SMILES	[Sb](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Pnictogen-bonding catalysis: brevetoxin-type polyether cyclizations
Authors of publication	Gini, Andrea; Paraja, Miguel; Galmés, Bartomeu; Besnard, Celine; Poblador-Bahamonde, Amalia I.; Sakai, Naomi; Frontera, Antonio; Matile, Stefan
Journal of publication	Chemical Science
Year of publication	2020
a	5.9325 ± 0.0001 Å
b	20.3604 ± 0.0002 Å
c	14.9916 ± 0.0002 Å
α	90°
β	92.882 ± 0.001°
γ	90°
Cell volume	1808.52 ± 0.04 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0257
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.046
Weighted residual factors for all reflections included in the refinement	0.0475
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
253462 (current)	2020-06-26	cif/ Adding structures of 1558415, 1558416, 1558417, 1558418, 1558419, 1558420, 1558421, 1558422, 1558423, 1558424, 1558425 via cif-deposit CGI script.	1558422.cif