Crystallography Open Database

Information card for entry 7218262

Preview

Coordinates	7218262.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H25 N O4 S
Calculated formula	C25 H25 N O4 S
SMILES	S1C2=C(C(c3ccc(OC)cc3)C3=C(N2CC1)CC(C)(CC3=O)C)C(=O)c1occc1
Title of publication	Catalyst-free one-pot four-component domino reactions in water‒PEG-400: highly efficient and convergent approach to thiazoloquinoline scaffolds
Authors of publication	Nagaraju, Anugula; Ramulu, B. Janaki; Shukla, Gaurav; Srivastava, Abhijeet; Verma, Girijesh Kumar; Raghuvanshi, Keshav; Singh, Maya Shankar
Journal of publication	Green Chem.
Year of publication	2015
Journal volume	17
Journal issue	2
Pages of publication	950
a	12.2796 ± 0.0006 Å
b	11.7459 ± 0.0004 Å
c	15.808 ± 0.0009 Å
α	90°
β	102.781 ± 0.005°
γ	90°
Cell volume	2223.57 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1229
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.1339
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
180513 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/82.	7218262.cif
133449	2015-03-06	cif/ Updating files of 7218262, 7218263, 7218264 Original log message: Adding full bibliography for 7218262--7218264.cif.	7218262.cif
124251	2014-09-26	cif/ Adding structures of 7218262, 7218263, 7218264 via cif-deposit CGI script.	7218262.cif