Crystallography Open Database

Information card for entry 7225441

Preview

Coordinates	7225441.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 N2 O2 S
Calculated formula	C25 H22 N2 O3 S
SMILES	c1ccc(c2[nH]c3c(c2Nc2ccccc2)C(=O)Oc2c3cccc2)cc1.S(=O)(C)C
Title of publication	Facile and eco-friendly synthesis of chromeno[4,3-b]pyrrol-4(1H)-one derivatives applying magnetically recoverable nano crystalline CuFe2O4 involving a domino three-component reaction in aqueous media
Authors of publication	Das, Asish R.; Saha, Moumita; Pradhan, Koyel
Journal of publication	RSC Adv.
Year of publication	2016
a	8.9365 ± 0.0007 Å
b	10.9597 ± 0.0009 Å
c	11.7375 ± 0.0009 Å
α	100.397 ± 0.002°
β	92.839 ± 0.002°
γ	105.871 ± 0.002°
Cell volume	1081.65 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2291
Residual factor for significantly intense reflections	0.1963
Weighted residual factors for significantly intense reflections	0.2
Weighted residual factors for all reflections included in the refinement	0.24
Goodness-of-fit parameter for all reflections included in the refinement	4.875
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
288245 (current)	2023-12-12	cif/ Removed several misspelt data names since the same space group information is already provided using proper data names.	7225441.cif
183276	2016-06-03	cif/ Adding structures of 7225441 via cif-deposit CGI script.	7225441.cif