Crystallography Open Database

Information card for entry 1568408

Preview

Coordinates	1568408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 B2 Cl2 F8 N6
Calculated formula	C26 H30 B2 Cl2 F8 N6
Title of publication	On pyridine chloronium cations
Authors of publication	Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian
Journal of publication	Chemical Science
Year of publication	2023
Journal volume	14
Journal issue	9
Pages of publication	2325 - 2329
a	15.093 ± 0.009 Å
b	14.455 ± 0.007 Å
c	15.759 ± 0.008 Å
α	90°
β	108.451 ± 0.018°
γ	90°
Cell volume	3261 ± 3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0583
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1276
Weighted residual factors for all reflections included in the refinement	0.1295
Goodness-of-fit parameter for all reflections included in the refinement	1.143
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
281384 (current)	2023-03-04	cif/ Updating files of 1568406, 1568407, 1568408, 1568409, 1568410, 1568411 Original log message: Adding full bibliography for 1568406--1568411.cif.	1568408.cif
280950	2023-02-20	cif/ Adding structures of 1568406, 1568407, 1568408, 1568409, 1568410, 1568411 via cif-deposit CGI script.	1568408.cif