Crystallography Open Database

Information card for entry 7217234

Preview

Coordinates	7217234.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H11 N O
Calculated formula	C13 H11 N O
SMILES	c12ccccc1cc1C(=O)CCCc1n2
Title of publication	Iron/Acetic acid Mediated Intermolecular Tandem C-C and C-N Bond Formation: An Easy Access to Acridinone and Quinoline Derivatives
Authors of publication	Yao, Ching-Fa; R. R, Rajawinslin.; Gawande, Sachin D.; Kavala, Veerababurao; Huang, Yi-Hsiang; Kuo, Chun-Wei; Kuo, Ting-Shen; Chen, Mei-Ling; He, Chiu-Hui
Journal of publication	RSC Advances
Year of publication	2014
a	8.2359 ± 0.0018 Å
b	9.5653 ± 0.0014 Å
c	12.615 ± 0.002 Å
α	90°
β	99.791 ± 0.007°
γ	90°
Cell volume	979.3 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0731
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.1345
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
180503 (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 7/21/72.	7217234.cif
120935	2014-07-30	cif/ Adding structures of 7217232, 7217233, 7217234 via cif-deposit CGI script.	7217234.cif