Crystallography Open Database

Information card for entry 1573777

Preview

Coordinates	1573777.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 B10 O
Calculated formula	C28 H28 B10 O
Title of publication	Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.
Authors of publication	Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	8
Pages of publication	3705 - 3712
a	15.0683 ± 0.0008 Å
b	18.877 ± 0.0009 Å
c	18.5211 ± 0.001 Å
α	90°
β	90.849 ± 0.004°
γ	90°
Cell volume	5267.6 ± 0.5 Å³
Cell temperature	225 K
Ambient diffraction temperature	225 K
Number of distinct elements	4
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	0.1665
Residual factor for significantly intense reflections	0.1093
Weighted residual factors for significantly intense reflections	0.2944
Weighted residual factors for all reflections included in the refinement	0.344
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298105 (current)	2025-03-04	cif/ Updating files of 1573766, 1573767, 1573768, 1573769, 1573770, 1573771, 1573772, 1573773, 1573774, 1573775, 1573776, 1573777 Original log message: Adding full bibliography for 1573766--1573777.cif.	1573777.cif
297441	2025-01-24	cif/ Adding structures of 1573766, 1573767, 1573768, 1573769, 1573770, 1573771, 1573772, 1573773, 1573774, 1573775, 1573776, 1573777 via cif-deposit CGI script.	1573777.cif