Crystallography Open Database

Information card for entry 7152133

Preview

Coordinates	7152133.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H16 N4 O
Calculated formula	C17 H16 N4 O
SMILES	O=C(CC(n1nnc(n1)c1ccccc1)C)c1ccccc1
Title of publication	Acidic-functionalized ionic liquid as an efficient, green and reusable catalyst for hetero-Michael addition of nitrogen, sulfur and oxygen nucleophiles to α,β-unsaturated ketones.
Authors of publication	Han, Feng; Yang, Lei; Li, Zhen; Xia, Chungu
Journal of publication	Organic & biomolecular chemistry
Year of publication	2012
Journal volume	10
Journal issue	2
Pages of publication	346 - 354
a	6.203 ± 0.002 Å
b	13.362 ± 0.005 Å
c	18.973 ± 0.007 Å
α	90°
β	106.802 ± 0.01°
γ	90°
Cell volume	1505.4 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0882
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1615
Weighted residual factors for all reflections included in the refinement	0.185
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
180307 (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 7/15/21.	7152133.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7152133.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7152133.cif
33527	2012-02-12	../uploads/cif-deposit/cod/cif Adding structures of 7152133, 7152134 via cif-deposit CGI script.	7152133.cif