Crystallography Open Database

Information card for entry 1569621

Preview

Coordinates	1569621.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	L5
Chemical name	L5
Formula	C27 H18 N2 O
Calculated formula	C27 H18 N2 O
SMILES	O=C(c1cc2nc(c3ccccc3)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	14.8045 ± 0.0012 Å
b	6.147 ± 0.0005 Å
c	22.9263 ± 0.0019 Å
α	90°
β	107.231 ± 0.002°
γ	90°
Cell volume	1992.7 ± 0.3 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 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	0.1241
Residual factor for significantly intense reflections	0.0711
Weighted residual factors for significantly intense reflections	0.1617
Weighted residual factors for all reflections included in the refinement	0.2118
Goodness-of-fit parameter for all reflections included in the refinement	1.256
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
301209 (current)	2025-07-10	cif/1: Fixing Z values and formulae	1569621.cif
286198	2023-09-05	cif/ Updating files of 1569618, 1569619, 1569620, 1569621 Original log message: Adding full bibliography for 1569618--1569621.cif.	1569621.cif
285458	2023-08-05	cif/ Adding structures of 1569618, 1569619, 1569620, 1569621 via cif-deposit CGI script.	1569621.cif