Crystallography Open Database

Information card for entry 7058223

Preview

Coordinates	7058223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 O3 S
Calculated formula	C22 H16 O3 S
Title of publication	Efficient syntheses and antimicrobial activities of new thiophene containing pyranone and quinolinone derivatives using manganese(iii) acetate: the effect of thiophene on ring closure‒opening reactions
Authors of publication	Özgür, Mehtap; Yılmaz, Mehmet; Nishino, Hiroshi; Çinar Avar, Eda; Dal, Hakan; Pekel, A. Tarık; Hökelek, Tuncer
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	15
Pages of publication	5737
a	9.9226 ± 0.0002 Å
b	15.7155 ± 0.0003 Å
c	11.5782 ± 0.0002 Å
α	90°
β	108.572 ± 0.003°
γ	90°
Cell volume	1711.47 ± 0.06 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	0.038
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.0843
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
224913 (current)	2019-11-08	cif/ Updating files of 7058223 Original log message: Adding full bibliography for 7058223.cif.	7058223.cif
213996	2019-03-06	cif/ Adding structures of 7058223 via cif-deposit CGI script.	7058223.cif