Crystallography Open Database

Information card for entry 4135262

Preview

Coordinates	4135262.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H28 B11 N Si2
Calculated formula	C8 H28 B11 N Si2
SMILES	[Si](N([Si](C)(C)C)B1[C]2345[C]6781[BH]192[BH]2%106[BH]6%111[BH]1%12%10[BH]%10%13%14[BH]%153([BH]48%13[BH]721%10)[BH]6%12%14[BH]59%11%15)(C)(C)C
Title of publication	Solution-Phase Synthesis of a Base-Free Benzoborirene and a Three-Dimensional Inorganic Analogue.
Authors of publication	Zhang, Hui; Wang, Junyi; Yang, Weiguang; Xiang, Libo; Sun, Weicheng; Ming, Wenbo; Li, Yinxin; Lin, Zhenyang; Ye, Qing
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	9.5798 ± 0.0009 Å
b	20.813 ± 0.002 Å
c	10.2723 ± 0.001 Å
α	90°
β	107.734 ± 0.003°
γ	90°
Cell volume	1950.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.01 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	0.0722
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1082
Weighted residual factors for all reflections included in the refinement	0.1214
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
256895 (current)	2020-10-02	cif/ Adding structures of 4135260, 4135261, 4135262, 4135263 via cif-deposit CGI script.	4135262.cif