Crystallography Open Database

Information card for entry 4135263

Preview

Coordinates	4135263.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H48 B11 N3 Si2
Calculated formula	C19 H48 B11 N3 Si2
SMILES	[Si](C)(C)([C]1234[C]567([B](=N[Si](C)(C)C)=C8N(C(C)C)C(=C(N8C(C)C)C)C)[BH]89%10[BH]%11%125[BH]5%138[BH]8%14%11[BH]16%12[BH]148[BH]463[BH]279[BH]%10%136[BH]5%1414)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	9.6845 ± 0.0005 Å
b	19.2174 ± 0.0011 Å
c	16.6527 ± 0.0008 Å
α	90°
β	92.683 ± 0.002°
γ	90°
Cell volume	3095.9 ± 0.3 Å³
Cell temperature	104 ± 2 K
Ambient diffraction temperature	104.02 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0616
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.153
Weighted residual factors for all reflections included in the refinement	0.159
Goodness-of-fit parameter for all reflections included in the refinement	1.0398
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.	4135263.cif