Crystallography Open Database

Information card for entry 7224544

Preview

Coordinates	7224544.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Diethyl 6-amino-4-(benzofuran-2-yl)-5-cyano-1-p-tolyl-1,4-dihydropyridine-2,3-dicarboxylate
Formula	C27 H25 N3 O5
Calculated formula	C27 H25 N3 O5
SMILES	o1c2c(cc1C1C(=C(N)N(C(=C1C(OCC)=O)C(=O)OCC)c1ccc(cc1)C)C#N)cccc2
Title of publication	Ultrasound mediated, green innovation for the synthesis of polysubstituted 1,4-dihydropyridines
Authors of publication	PASHA, MOHAMED AFZAL; tabassum, sumaiya; govindaraju, santhosh; rahaman khan, riyaz ur
Journal of publication	RSC Adv.
Year of publication	2016
a	9.9491 ± 0.0003 Å
b	11.8834 ± 0.0004 Å
c	12.582 ± 0.0004 Å
α	112.932 ± 0.001°
β	99.264 ± 0.001°
γ	109.587 ± 0.001°
Cell volume	1215.64 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0341
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0775
Weighted residual factors for all reflections included in the refinement	0.0787
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
178016 (current)	2016-03-08	cif/ Adding structures of 7224543, 7224544 via cif-deposit CGI script.	7224544.cif