Crystallography Open Database

Information card for entry 1558421

Preview

Coordinates	1558421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H6 F9 Sb
Calculated formula	C18 H6 F9 Sb
SMILES	[Sb](c1c(F)cc(F)c(F)c1)(c1c(F)cc(F)c(F)c1)c1c(F)cc(F)c(F)c1
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	4.6572 ± 0.0001 Å
b	11.8323 ± 0.0003 Å
c	15.386 ± 0.0003 Å
α	102.271 ± 0.002°
β	90.684 ± 0.002°
γ	100.761 ± 0.002°
Cell volume	812.73 ± 0.03 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0325
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0851
Weighted residual factors for all reflections included in the refinement	0.0857
Goodness-of-fit parameter for all reflections included in the refinement	1.184
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
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.	1558421.cif