Crystallography Open Database

Information card for entry 1559188

Preview

Coordinates	1559188.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 N O3
Calculated formula	C19 H17 N O3
SMILES	Oc1c(OCC)cc(/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	32.861 ± 0.006 Å
b	8.4446 ± 0.0015 Å
c	11.602 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3219.5 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1269
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.2023
Weighted residual factors for all reflections included in the refinement	0.2165
Goodness-of-fit parameter for all reflections included in the refinement	1.259
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
282214 (current)	2023-04-03	cif/ Corrected the format of changelog entry dates in several entries.	1559188.cif
278187	2022-09-26	cif/1/55/91/ Reverted the space group IT number value back to '33' and changed the chemical formula weight value to be compatible with the corrected chemical formula.	1559188.cif
276143	2022-06-22	cif/1 Fixing Z values and formulae	1559188.cif
256746	2020-09-25	cif/ Adding structures of 1559186, 1559187, 1559188 via cif-deposit CGI script.	1559188.cif