Crystallography Open Database

Information card for entry 7131775

Preview

Coordinates	7131775.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33.2 H34.4 Be Cl0.4 N2
Calculated formula	C33.198 H34.396 Be Cl0.396 N2
Title of publication	Dibenzoberylloles: antiaromatic s-block fluorene analogues
Authors of publication	Tröster, Tobias; Endres, Franziska; Arrowsmith, Merle; Endres, Lukas; Fantuzzi, Felipe; Braunschweig, Holger
Journal of publication	Chemical Communications
Year of publication	2023
a	18.4121 ± 0.0002 Å
b	16.0444 ± 0.0002 Å
c	19.7334 ± 0.0003 Å
α	90°
β	108.717 ± 0.001°
γ	90°
Cell volume	5521.17 ± 0.13 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	0.0531
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.1118
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Diffraction radiation X-ray symbol	K-L~2,3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
284552 (current)	2023-06-29	cif/ Adding structures of 7131768, 7131769, 7131770, 7131771, 7131772, 7131773, 7131774, 7131775 via cif-deposit CGI script.	7131775.cif