Crystallography Open Database

Information card for entry 7234902

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Structure parameters

Formula	C27 H17 F3 N2 O
Calculated formula	C27 H17 F3 N2 O
SMILES	n1c(n(c(c2ccc(F)cc2)c1c1ccc(cc1)F)c1ccccc1)c1c(ccc(c1)F)O
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	14.1247 ± 0.0005 Å
b	10.541 ± 0.0004 Å
c	14.3333 ± 0.0004 Å
α	90°
β	93.617 ± 0.003°
γ	90°
Cell volume	2129.81 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0923
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1509
Weighted residual factors for all reflections included in the refinement	0.1789
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7234902.cif
222461	2019-11-04	cif/ Adding structures of 7234897, 7234898, 7234899, 7234900, 7234901, 7234902 via cif-deposit CGI script.	7234902.cif