Crystallography Open Database

Information card for entry 1548594

Preview

Coordinates	1548594.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H37 B N2 Se2
Calculated formula	C23 H37 B N2 Se2
Title of publication	Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.
Authors of publication	Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	8
Pages of publication	2252 - 2260
a	17.551 ± 0.006 Å
b	15.552 ± 0.005 Å
c	17.729 ± 0.006 Å
α	90°
β	93.183 ± 0.008°
γ	90°
Cell volume	4832 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.2188
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.1626
Weighted residual factors for all reflections included in the refinement	0.2245
Goodness-of-fit parameter for all reflections included in the refinement	0.97
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
228676 (current)	2019-11-17	cif/ Updating files of 1548594, 1548595, 1548596, 1548597, 1548598, 1548599, 1548600, 1548601, 1548602, 1548603 Original log message: Adding full bibliography for 1548594--1548603.cif.	1548594.cif
204733	2018-01-05	cif/ Adding structures of 1548594, 1548595, 1548596, 1548597, 1548598, 1548599, 1548600, 1548601, 1548602, 1548603 via cif-deposit CGI script.	1548594.cif