Crystallography Open Database

Information card for entry 7714667

Preview

Coordinates	7714667.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H96 B2 N5
Calculated formula	C79 H96 B2 N5
Title of publication	CAAC-stabilised 9,10-diboraanthracene: an electronically and structurally flexible platform for small-molecule activation and metal complexation.
Authors of publication	Dietz, Maximilian; Arrowsmith, Merle; Braunschweig, Holger
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	2
Pages of publication	449 - 453
a	11.4791 ± 0.0001 Å
b	13.0245 ± 0.0001 Å
c	22.3883 ± 0.0001 Å
α	79.339 ± 0.001°
β	86.627 ± 0.001°
γ	86.676 ± 0.001°
Cell volume	3280 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0383
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0938
Weighted residual factors for all reflections included in the refinement	0.0962
Goodness-of-fit parameter for all reflections included in the refinement	0.856
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
289528 (current)	2024-02-04	cif/ Updating files of 7714662, 7714663, 7714664, 7714665, 7714666, 7714667 Original log message: Adding full bibliography for 7714662--7714667.cif.	7714667.cif
288202	2023-12-09	cif/ Adding structures of 7714662, 7714663, 7714664, 7714665, 7714666, 7714667 via cif-deposit CGI script.	7714667.cif