Crystallography Open Database

Information card for entry 7222016

7222015 << 7222016 >> 7222017

Preview

Coordinates	7222016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H40 B10 O2 Si2
Calculated formula	C22 H40 B10 O2 Si2
SMILES	[Si](c1ccc(OC)cc1)(C)(C)C[C]1234[BH]567[BH]891[C]1%10%11(C[Si](C)(C)c%12ccc(OC)cc%12)[BH]%1228[BH]283[BH]31%12[BH]1%12%10[BH]59%11[BH]561[BH]23%12[BH]4785
Title of publication	High-yielding and Facile Synthesis of Organosilicon Compounds containing m-Carboranylmethyl Group
Authors of publication	Han, Xiaojie; Fei, Huafeng; Liu, Bozheng; Tan, Yongxia; Zhang, Xuezhong; Xie, Zemin; Zhang, Zhijie
Journal of publication	RSC Adv.
Year of publication	2015
a	35.83 ± 0.007 Å
b	12.211 ± 0.002 Å
c	6.5889 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	2882.8 ± 0.9 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 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	0.0491
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1019
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
154313 (current)	2015-09-05	cif/ Adding structures of 7222016, 7222017 via cif-deposit CGI script.	7222016.cif