Crystallography Open Database

Information card for entry 7239029

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Coordinates	7239029.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	5-(5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thiophen-2-yl acetate
Formula	C15 H13 N O3 S
Calculated formula	C15 H13 N O3 S
Title of publication	Pd-catalyzed site selective C‒H acetoxylation of aryl/heteroaryl/thiophenyl tethered dihydroquinolinones
Authors of publication	Patpi, Santhosh Reddy; Sridhar, Balasubramanian; Tadikamalla, Prabhakar Rao; Kantevari, Srinivas
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	26
Pages of publication	10251
a	12.5933 ± 0.0011 Å
b	15.1264 ± 0.0013 Å
c	15.0649 ± 0.0013 Å
α	90°
β	111.798 ± 0.001°
γ	90°
Cell volume	2664.5 ± 0.4 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 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	0.0674
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1625
Weighted residual factors for all reflections included in the refinement	0.174
Goodness-of-fit parameter for all reflections included in the refinement	1.187
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
244513 (current)	2019-11-28	cif/ Adding structures of 7239029, 7239030 via cif-deposit CGI script.	7239029.cif