Crystallography Open Database

Information card for entry 7151743

Preview

Coordinates	7151743.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H22 Br N O4
Calculated formula	C27 H22 Br N O4
Title of publication	Catalytic asymmetric Michael addition with curcumin derivative.
Authors of publication	Li, Wenjun; Wu, Wenbin; Yu, Feng; Huang, Huicai; Liang, Xinmiao; Ye, Jinxing
Journal of publication	Organic & biomolecular chemistry
Year of publication	2011
Journal volume	9
Journal issue	7
Pages of publication	2505 - 2511
a	5.4962 ± 0.001 Å
b	14.702 ± 0.003 Å
c	14.657 ± 0.003 Å
α	90°
β	100.037 ± 0.003°
γ	90°
Cell volume	1166.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0803
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1375
Weighted residual factors for all reflections included in the refinement	0.1467
Goodness-of-fit parameter for all reflections included in the refinement	0.938
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180303 (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 7/15/17.	7151743.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151743.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151743.cif
21250	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7151743 via cif-deposit CGI script.	7151743.cif