Crystallography Open Database

Information card for entry 7235116

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Structure parameters

Formula	C38 H30 F6 N P
Calculated formula	C38 H30 F6 N P
SMILES	[n+]1(ccc(/C=C/c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)c2c1cccc2)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	A highly sensitive fluorescent sensor with aggregation-induced emission characteristics for the detection of iodide and mercury ions in aqueous solution
Authors of publication	Rui Xue Zhang; Peng Fei Li; Wen Juan Zhang; Nan Li; Na Zhao
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	10479 - 10485
a	9.4059 ± 0.0004 Å
b	11.4024 ± 0.0005 Å
c	15.4542 ± 0.0005 Å
α	94.338 ± 0.003°
β	105.333 ± 0.003°
γ	92.789 ± 0.003°
Cell volume	1589.82 ± 0.11 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	0.135
Residual factor for significantly intense reflections	0.1202
Weighted residual factors for significantly intense reflections	0.4019
Weighted residual factors for all reflections included in the refinement	0.4268
Goodness-of-fit parameter for all reflections included in the refinement	1.833
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
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.	7235116.cif
227871	2019-11-15	cif/ Adding structures of 7235116 via cif-deposit CGI script.	7235116.cif