Crystallography Open Database

Information card for entry 1550412

Preview

Coordinates	1550412.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H10 Al F27 N2 O3
Calculated formula	C19 H10 Al F27 N2 O3
SMILES	[Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)[n]1ccc(N(C)C)cc1
Title of publication	Investigations on Non-Classical Silylium Ions Leading to a Cyclobutenyl Cation
Authors of publication	Martens, Arthur; Kreuzer, Marvin; Ripp, Alexander Johannes Christoph; Schneider, Marius; Himmel, Daniel; Scherer, Harald; Krossing, Ingo
Journal of publication	Chemical Science
Year of publication	2019
a	12.2182 ± 0.0008 Å
b	11.395 ± 0.0007 Å
c	21.1752 ± 0.0014 Å
α	90°
β	105.383 ± 0.003°
γ	90°
Cell volume	2842.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0295
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0685
Weighted residual factors for all reflections included in the refinement	0.0697
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
212910 (current)	2019-01-11	cif/ Adding structures of 1550410, 1550411, 1550412 via cif-deposit CGI script.	1550412.cif