Crystallography Open Database

Information card for entry 7212732

Preview

Coordinates	7212732.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 B Bi F4 O S
Calculated formula	C14 H14 B Bi F4 O S
SMILES	[Bi]12([S](Cc3c1cccc3)Cc1ccccc21)[OH2].[B](F)(F)(F)[F-]
Title of publication	Facile separation catalyst system: direct diastereoselective synthesis of (E)-α,β-unsaturated ketones catalyzed by an air-stable Lewis acidic/basic bifunctional organobismuth complex in ionic liquids
Authors of publication	Qiu, Renhua; Qiu, Yimiao; Yin, Shuangfeng; Song, Xingxing; Meng, Zhengong; Xu, Xinhua; Zhang, Xiaowen; Luo, Shenglian; Au, Chak-Tong; Wong, Wai-Yeung
Journal of publication	Green Chemistry
Year of publication	2010
Journal volume	12
Journal issue	10
Pages of publication	1767
a	13.8004 ± 0.0008 Å
b	11.5529 ± 0.0006 Å
c	9.8253 ± 0.0006 Å
α	90°
β	93.005 ± 0.001°
γ	90°
Cell volume	1564.34 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
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	0.0399
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.1081
Weighted residual factors for all reflections included in the refinement	0.1089
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
180458 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/27.	7212732.cif
93261	2014-01-12	cif/ Adding structures of 7212732 via cif-deposit CGI script.	7212732.cif