Crystallography Open Database

Information card for entry 7717901

Preview

Coordinates	7717901.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H38 B N3
Calculated formula	C21 H38 B N3
Title of publication	Synthesis of base-free boriranes and their conversion to borirenes using strong reductant.
Authors of publication	Dotzauer, Simon; Kar, Sourav; Swoboda, Theresa; Weidemann, Christoph; Häfner, Andreas; Dewhurst, Rian D.; Braunschweig, Holger
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	9
Pages of publication	3857 - 3862
a	18.5782 ± 0.0005 Å
b	13.3262 ± 0.0004 Å
c	8.4378 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2089 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0794
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
298915 (current)	2025-04-05	cif/ Updating files of 7717899, 7717900, 7717901, 7717902, 7717903, 7717904, 7717905 Original log message: Adding full bibliography for 7717899--7717905.cif.	7717901.cif
297493	2025-01-28	cif/ Adding structures of 7717899, 7717900, 7717901, 7717902, 7717903, 7717904, 7717905 via cif-deposit CGI script.	7717901.cif