Crystallography Open Database

Information card for entry 1569618

Preview

Coordinates	1569618.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	L2
Chemical name	L2
Formula	C21 H14 N2 O2
Calculated formula	C21 H14 N2 O2
SMILES	OC(=O)c1ccc2nc(c(nc2c1)c1ccccc1)c1ccccc1
Title of publication	Surfactant-induced disaggregation of a quinoxaline AIEgen scaffold: aggregation aptitude in the solid and solution states.
Authors of publication	De, Sagnik; Das, Gopal
Journal of publication	Soft matter
Year of publication	2023
Journal volume	19
Journal issue	32
Pages of publication	6116 - 6121
a	6.4465 ± 0.001 Å
b	10.691 ± 0.002 Å
c	12.369 ± 0.002 Å
α	100.887 ± 0.017°
β	93.957 ± 0.016°
γ	98.408 ± 0.015°
Cell volume	824 ± 0.2 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	0.2001
Residual factor for significantly intense reflections	0.0778
Weighted residual factors for significantly intense reflections	0.179
Weighted residual factors for all reflections included in the refinement	0.2537
Goodness-of-fit parameter for all reflections included in the refinement	0.987
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
286198 (current)	2023-09-05	cif/ Updating files of 1569618, 1569619, 1569620, 1569621 Original log message: Adding full bibliography for 1569618--1569621.cif.	1569618.cif
285458	2023-08-05	cif/ Adding structures of 1569618, 1569619, 1569620, 1569621 via cif-deposit CGI script.	1569618.cif