Crystallography Open Database

Information card for entry 1558419

Preview

Coordinates	1558419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H6 Bi F9
Calculated formula	C18 H6 Bi F9
SMILES	[Bi](c1cc(F)c(F)c(F)c1)(c1cc(F)c(F)c(F)c1)c1cc(F)c(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	7.16588 ± 0.00007 Å
b	14.61823 ± 0.00016 Å
c	17.01631 ± 0.00016 Å
α	98.5736 ± 0.0008°
β	94.0812 ± 0.0008°
γ	102.497 ± 0.0008°
Cell volume	1710.92 ± 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	0.0576
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0497
Weighted residual factors for all reflections included in the refinement	0.0535
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	1558419.cif