Crystallography Open Database

Information card for entry 7226892

Preview

Coordinates	7226892.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 N O
Calculated formula	C19 H15 N O
SMILES	O=C1CCCc2c(c3c(nc12)cccc3)c1ccccc1
Title of publication	Metal-free annulation/aerobic oxidative dehydrogenation of cyclohexanones with o-acylanilines: efficient syntheses of acridines
Authors of publication	Senadi, Gopal Chandru; Dhandabani, Ganesh Kumar; Hu, Wan-Ping; Wang, Jeh-Jeng
Journal of publication	Green Chem.
Year of publication	2016
Journal volume	18
Journal issue	23
Pages of publication	6241
a	8.2767 ± 0.0007 Å
b	8.6984 ± 0.0006 Å
c	11.4987 ± 0.0009 Å
α	110.318 ± 0.002°
β	90.656 ± 0.003°
γ	115.299 ± 0.003°
Cell volume	689.29 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0619
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1515
Weighted residual factors for all reflections included in the refinement	0.1625
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
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
190224 (current)	2017-01-09	cif/ Updating files of 7226889, 7226890, 7226891, 7226892 Original log message: Adding full bibliography for 7226889--7226892.cif.	7226892.cif
187543	2016-10-25	cif/ Adding structures of 7226889, 7226890, 7226891, 7226892 via cif-deposit CGI script.	7226892.cif