Crystallography Open Database

Information card for entry 7240214

Preview

Coordinates	7240214.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H28 N2 O2
Calculated formula	C31 H28 N2 O2
SMILES	N1(c2c(C(=O)c3c1cccc3)ccc(N1c3c(Oc4c1cccc4)cccc3)c2)CCCCCC
Title of publication	Effect of the substituent position on the electrochemical, optical and structural properties of donor-acceptor type acridone derivatives.
Authors of publication	Kulszewicz-Bajer, Irena; Zagorska, Malgorzata; Banasiewicz, Marzena; Guńka, Piotr A; Toman, Petr; Kozankiewicz, Boleslaw; Wiosna-Salyga, Gabriela; Pron, Adam
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2020
Journal volume	22
Journal issue	16
Pages of publication	8522 - 8534
a	7.9995 ± 0.0003 Å
b	14.2069 ± 0.0006 Å
c	21.3942 ± 0.0009 Å
α	90°
β	100.552 ± 0.004°
γ	90°
Cell volume	2390.29 ± 0.17 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 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	0.0762
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1291
Weighted residual factors for all reflections included in the refinement	0.1452
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
251737 (current)	2020-05-05	cif/ Updating files of 7240214, 7240215, 7240216 Original log message: Adding full bibliography for 7240214--7240216.cif.	7240214.cif
249781	2020-03-27	cif/ Adding structures of 7240214, 7240215, 7240216 via cif-deposit CGI script.	7240214.cif