Crystallography Open Database

Information card for entry 1558415

Preview

Coordinates	1558415.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H8 F12 Sn
Calculated formula	C24 H8 F12 Sn
SMILES	[Sn](c1cc(F)c(F)c(F)c1)(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	13.3697 ± 0.0003 Å
b	13.3697 ± 0.0003 Å
c	23.8975 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4271.7 ± 0.2 Å³
Cell temperature	99.99 ± 0.13 K
Ambient diffraction temperature	99.99 ± 0.13 K
Number of distinct elements	4
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.0275
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.0731
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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.	1558415.cif