Crystallography Open Database

Information card for entry 1513599

Preview

Coordinates	1513599.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 N4 O7
Calculated formula	C22 H22 N4 O7
SMILES	O1C(N)=C(C#N)C(c2c(nn(c3ccccc3)c12)C(=O)OC)(CC(=O)OCC)C(=O)OCC
Title of publication	Magnetically retrievable nano crystalline CuFe2O4 catalyzed multi-component reaction: a facile and efficient synthesis of functionalized dihydropyrano[2,3-c]pyrazole, pyrano[3,2-c]coumarin and 4H-chromene derivatives in aqueous media
Authors of publication	Pradhan, Koyel; Paul, Sanjay; Das, Asish R.
Journal of publication	Catalysis Science & Technology
Year of publication	2014
Journal volume	4
Journal issue	3
Pages of publication	822
a	8.549 ± 0.005 Å
b	11.18 ± 0.005 Å
c	12.73 ± 0.005 Å
α	91.165 ± 0.005°
β	104.363 ± 0.005°
γ	110.189 ± 0.005°
Cell volume	1098.7 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1002
Residual factor for significantly intense reflections	0.0699
Weighted residual factors for significantly intense reflections	0.1858
Weighted residual factors for all reflections included in the refinement	0.2153
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513599.cif
105079	2014-03-11	cif/ Adding structures of 1513597, 1513598, 1513599 via cif-deposit CGI script.	1513599.cif