Crystallography Open Database

Information card for entry 7112625

Preview

Coordinates	7112625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 N2 O3
Calculated formula	C30 H30 N2 O3
Title of publication	Catalytic intermolecular beta-C-H alkenylation of alpha-enamino-ketones with simple alkynes
Authors of publication	Zhiqian Wang; Brandon J. Reinus; Guangbin Dong
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	5230
a	9.8277 ± 0.0004 Å
b	9.8709 ± 0.0004 Å
c	26.4181 ± 0.0012 Å
α	90°
β	92.566 ± 0.002°
γ	90°
Cell volume	2560.2 ± 0.19 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1067
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1306
Weighted residual factors for all reflections included in the refinement	0.1462
Goodness-of-fit parameter for all reflections included in the refinement	1.144
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
180240 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/26.	7112625.cif
111518	2014-04-24	cif/ Adding structures of 7112625, 7112626, 7112627 via cif-deposit CGI script.	7112625.cif