Crystallography Open Database

Information card for entry 2311327

Preview

Coordinates	2311327.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2-[9-(2-Hydroxyphenyl)-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetic acid
Formula	C21 H21 N O5
Calculated formula	C21 H21 N O5
SMILES	O=C1CCCC2=C1C(C1=C(N2CC(=O)O)CCCC1=O)c1ccccc1O
Title of publication	Crystal structure of 2-[9-(2-hy-droxy-phen-yl)-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-deca-hydro-acridin-10-yl]acetic acid.
Authors of publication	Akkurt, Mehmet; Jasinski, Jerry P.; Mohamed, Shaaban K.; Allah, Omyma A Abd; Tamam, Asmaa H. A.; Albayati, Mustafa R.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2015
Journal volume	71
Journal issue	Pt 12
Pages of publication	o963 - 4
a	19.4735 ± 0.0007 Å
b	8.9773 ± 0.0004 Å
c	20.3414 ± 0.0008 Å
α	90°
β	91.619 ± 0.003°
γ	90°
Cell volume	3554.7 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1444
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for significantly intense reflections	0.1882
Weighted residual factors for all reflections included in the refinement	0.2289
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
245797 (current)	2019-12-25	cif/ Adding structures of 2311327 via cif-deposit CGI script.	2311327.cif