Crystallography Open Database

Information card for entry 7153866

Preview

Coordinates	7153866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H16 Br2 Cu N2 O2
Calculated formula	C10 H16 Br2 Cu N2 O2
SMILES	Br[Cu]1([N]2C(C)(C)COC=2C2OCC([N]1=2)(C)C)Br
Title of publication	Synthesis and characterization of bisoxazolines- and pybox-copper(ii) complexes and their application in the coupling of α-carbonyls with functionalized amines.
Authors of publication	Jia, Wei-Guo; Li, Dan-Dan; Dai, Yuan-Chen; Zhang, Hui; Yan, Li-Qin; Sheng, En-Hong; Wei, Yun; Mu, Xiao-Long; Huang, Kuo-Wei
Journal of publication	Organic & biomolecular chemistry
Year of publication	2014
Journal volume	12
Journal issue	29
Pages of publication	5509 - 5516
a	10.506 ± 0.005 Å
b	12.627 ± 0.006 Å
c	12.057 ± 0.005 Å
α	90°
β	115.714 ± 0.005°
γ	90°
Cell volume	1441.1 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1637
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1252
Weighted residual factors for all reflections included in the refinement	0.1699
Goodness-of-fit parameter for all reflections included in the refinement	0.933
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
180324 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/38.	7153866.cif
119516	2014-07-07	cif/ Updating files of 7153865, 7153866, 7153867, 7153868 Original log message: Adding full bibliography for 7153865--7153868.cif.	7153866.cif
115586	2014-06-04	cif/ Adding structures of 7153865, 7153866, 7153867, 7153868 via cif-deposit CGI script.	7153866.cif