Crystallography Open Database

Information card for entry 1549748

Preview

Coordinates	1549748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H35 N3 O2
Calculated formula	C48 H35 N3 O2
SMILES	O(c1c2nc(/C=C/c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)ccc2ccc1)CC(=O)Nc1cccc2cccnc12
Title of publication	Two new quinoline-based regenerable fluorescent probes with AIE characteristics for selective recognition of Cu<sup>2+</sup> in aqueous solution and test strips.
Authors of publication	Xiong, Jingwen; Li, Zongzhi; Tan, Jihua; Ji, Shaomin; Sun, Jianwei; Li, Xianwei; Huo, Yanping
Journal of publication	The Analyst
Year of publication	2018
Journal volume	143
Journal issue	20
Pages of publication	4870 - 4886
a	7.9859 ± 0.0002 Å
b	19.6476 ± 0.0005 Å
c	23.8539 ± 0.0006 Å
α	90°
β	106.74 ± 0.002°
γ	90°
Cell volume	3584.15 ± 0.16 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	4
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	0.0651
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.144
Weighted residual factors for all reflections included in the refinement	0.1573
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
227951 (current)	2019-11-17	cif/ Updating files of 1549748 Original log message: Adding full bibliography for 1549748.cif.	1549748.cif
209340	2018-08-02	cif/ Adding structures of 1549748 via cif-deposit CGI script.	1549748.cif