Crystallography Open Database

Information card for entry 7242962

Preview

Coordinates	7242962.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	TL7B
Formula	C16 H18 N2 O2 S
Calculated formula	C16 H18 N2 O2 S
SMILES	s1cccc1C(=O)N/N=C/c1cccc(c1O)C(C)(C)C
Title of publication	A highly selective “turn-on” water-soluble fluorescent sensor for gallium ion detection
Authors of publication	Wang, Pengfei; Meng, Fanda; Su, Hao; Liu, Lijie; Khan, Maroof Ahmad; Li, Hui
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	32
Pages of publication	19747 - 19754
a	19.277 ± 0.004 Å
b	9.64 ± 0.002 Å
c	8.8871 ± 0.0018 Å
α	90°
β	81.711 ± 0.007°
γ	90°
Cell volume	1634.2 ± 0.6 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.0824
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1576
Weighted residual factors for all reflections included in the refinement	0.1782
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7242962.html