Crystallography Open Database

Information card for entry 1566151

Preview

Coordinates	1566151.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H49 B Br N3
Calculated formula	C29 H49 B Br N3
Title of publication	Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations
Authors of publication	Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	8
Pages of publication	2303 - 2309
a	16.6843 ± 0.0011 Å
b	10.1022 ± 0.0008 Å
c	17.8126 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3002.3 ± 0.4 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	5
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	0.0412
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
273348 (current)	2022-03-05	cif/ Updating files of 1566151, 1566152, 1566153, 1566154, 1566155, 1566156, 1566157, 1566158, 1566159, 1566160 Original log message: Adding full bibliography for 1566151--1566160.cif.	1566151.cif
272258	2022-01-27	cif/ Adding structures of 1566151, 1566152, 1566153, 1566154, 1566155, 1566156, 1566157, 1566158, 1566159, 1566160 via cif-deposit CGI script.	1566151.cif