Crystallography Open Database

Information card for entry 1569619

Preview

Coordinates	1569619.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	L4
Chemical name	L4
Formula	C21 H15 N2 O
Calculated formula	C21 H15 N2 O
SMILES	OCc1cc2nc(c(nc2cc1)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	11.9011 ± 0.0009 Å
b	6.2428 ± 0.0004 Å
c	22.2023 ± 0.0016 Å
α	90°
β	102.18 ± 0.008°
γ	90°
Cell volume	1612.4 ± 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	0.0757
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1611
Weighted residual factors for all reflections included in the refinement	0.1758
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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.	1569619.cif
285458	2023-08-05	cif/ Adding structures of 1569618, 1569619, 1569620, 1569621 via cif-deposit CGI script.	1569619.cif