Crystallography Open Database

Information card for entry 7234898

Preview

Coordinates	7234898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H22 F3 N2 O6
Calculated formula	C30 H21 F3 N2 O6
SMILES	OC(=O)c1cc(cc(n2c(nc(c3ccc(F)cc3)c2c2ccc(F)cc2)c2c(O)ccc(F)c2)c1)C(=O)O.OC
Title of publication	A naked eye colorimetric sensor for alcohol vapor discrimination and amplified spontaneous emission (ASE) from a highly fluorescent excited-state intramolecular proton transfer (ESIPT) molecule
Authors of publication	Ling Chen; Shao-Yun Yin; Mei Pan; Kai Wu; Hai-Ping Wang; Ya-Nan Fan; Cheng-Yong Su
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	6962 - 6966
a	9.4844 ± 0.0005 Å
b	11.976 ± 0.0006 Å
c	12.6807 ± 0.0006 Å
α	70.466 ± 0.004°
β	70.427 ± 0.004°
γ	75.767 ± 0.004°
Cell volume	1264.39 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0824
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1055
Weighted residual factors for all reflections included in the refinement	0.1212
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
222461 (current)	2019-11-04	cif/ Adding structures of 7234897, 7234898, 7234899, 7234900, 7234901, 7234902 via cif-deposit CGI script.	7234898.cif