Crystallography Open Database

Information card for entry 7153868

Preview

Coordinates	7153868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H19 N O2
Calculated formula	C14 H19 N O2
SMILES	N1(C(C(=O)c2ccc(cc2)C)C)CCOCC1
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	14.4443 ± 0.0015 Å
b	6.1524 ± 0.0006 Å
c	14.5492 ± 0.0015 Å
α	90°
β	98.226 ± 0.001°
γ	90°
Cell volume	1279.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.1085
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1086
Weighted residual factors for all reflections included in the refinement	0.1341
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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.	7153868.cif
119516	2014-07-07	cif/ Updating files of 7153865, 7153866, 7153867, 7153868 Original log message: Adding full bibliography for 7153865--7153868.cif.	7153868.cif
115586	2014-06-04	cif/ Adding structures of 7153865, 7153866, 7153867, 7153868 via cif-deposit CGI script.	7153868.cif