Crystallography Open Database

Information card for entry 1558830

Preview

Coordinates	1558830.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-Hydroxy-3,4-dimethoxy-10-methylacridin-9-one
Formula	C16 H15 N O4
Calculated formula	C16 H15 N O4
SMILES	O(c1c2N(c3c(C(=O)c2c(O)cc1OC)cccc3)C)C
Title of publication	1-Hydroxy-3,4-dimethoxy-10-methylacridin-9-one
Authors of publication	Araújo, Rodrigo S. A. de; Zondegoumba, Ernestine N. T.; Tankoua, Whisthler L. D.; Nyassé, Barthelemy; Mendonça, Francisco J. B. F.; De Simone, Carlos A.
Journal of publication	IUCrData
Year of publication	2020
Journal volume	5
Journal issue	8
Pages of publication	x201005
a	8.336 ± 0.0002 Å
b	10.178 ± 0.0003 Å
c	16.326 ± 0.0004 Å
α	82.284 ± 0.002°
β	76.557 ± 0.002°
γ	87.081 ± 0.002°
Cell volume	1334.73 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0723
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1687
Weighted residual factors for all reflections included in the refinement	0.1837
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
255258 (current)	2020-08-12	cif/ Adding structures of 1558830 via cif-deposit CGI script.	1558830.cif