Crystallography Open Database

Information card for entry 1559186

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Structure parameters

Formula	C17 H12 F N O
Calculated formula	C17 H12 F N O
SMILES	Fc1ccc(/C=C/c2nc3c(cc2)cccc3O)cc1
Title of publication	A multi-photon fluorescent probe based on quinoline groups for highly selective and sensitive detection of lipid droplets
Authors of publication	Zhang, Sijing; Yang, Zhenghui; LI, Minghao; Zhang, Qiong; Tian, Xiaohe; Li, Dandan; Li, Shengli; Wu, Jieying; Tian, Yupeng
Journal of publication	The Analyst
Year of publication	2020
a	6.7867 ± 0.0011 Å
b	14.848 ± 0.002 Å
c	13.118 ± 0.002 Å
α	90°
β	101.182 ± 0.002°
γ	90°
Cell volume	1296.8 ± 0.3 Å³
Cell temperature	296 ± 2 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	0.0684
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.1067
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1559186.cif
256746	2020-09-25	cif/ Adding structures of 1559186, 1559187, 1559188 via cif-deposit CGI script.	1559186.cif