Crystallography Open Database

Information card for entry 7706606

Preview

Coordinates	7706606.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H20 N2 O S
Calculated formula	C27 H20 N2 O S
SMILES	s1c(nc2c1cccc2)c1c(O)c(/C=N/C(c2ccccc2)c2ccccc2)ccc1
Title of publication	ESIPT-AIE active Schiff base based on 2-(2'-hydroxyphenyl)benzo-thiazole applied as multi-functional fluorescent chemosensors.
Authors of publication	Zheng, Han-Wen; Kang, Yang; Wu, Min; Liang, Qiong-Fang; Zheng, Jian-Quan; Zheng, Xiang-Jun; Jin, Lin-Pei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	11
Pages of publication	3916 - 3922
a	13.3315 ± 0.0002 Å
b	6.7941 ± 0.0001 Å
c	23.9317 ± 0.0003 Å
α	90°
β	104.232 ± 0.001°
γ	90°
Cell volume	2101.1 ± 0.05 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 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	0.0331
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.0818
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
263771 (current)	2021-04-05	cif/ Updating files of 7706604, 7706605, 7706606, 7706607, 7706608 Original log message: Adding full bibliography for 7706604--7706608.cif.	7706606.cif
261936	2021-02-13	cif/ Adding structures of 7706604, 7706605, 7706606, 7706607, 7706608 via cif-deposit CGI script.	7706606.cif