Crystallography Open Database

Information card for entry 7241679

Preview

Coordinates	7241679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H10 Cl N O4
Calculated formula	C11 H10 Cl N O4
SMILES	Cl(=O)(=O)(=O)[O-].[nH+]1ccc(c2ccccc2)cc1
Title of publication	Aggregation induced emission in one easy step: pyridinium AIEgens and counter ion effect
Authors of publication	Leduskrasts, Kaspars; Suna, Edgars
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	62
Pages of publication	38107 - 38113
a	6.8571 ± 0.0001 Å
b	18.2247 ± 0.0002 Å
c	9.2749 ± 0.0001 Å
α	90°
β	109.383 ± 0.002°
γ	90°
Cell volume	1093.38 ± 0.03 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1144
Weighted residual factors for all reflections included in the refinement	0.1164
Goodness-of-fit parameter for all reflections included in the refinement	1.0242
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
259587 (current)	2020-12-06	cif/ Adding structures of 7241675, 7241676, 7241677, 7241678, 7241679, 7241680 via cif-deposit CGI script.	7241679.cif