Crystallography Open Database

Information card for entry 1557109

Preview

Coordinates	1557109.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H18 I N2
Calculated formula	C17 H18 I N2
SMILES	[I-].N(c1ccc(cc1)/C=C/c1cc[n+](CC)cc1)(C)C
Title of publication	A side-chain engineering strategy for constructing fluorescent dyes with direct and ultrafast self-delivery to living cells
Authors of publication	Guo, Lifang; Li, Chuanya; Shang, Hai; Zhang, Ruoyao; Li, Xuechen; Lu, Qing; Cheng, Xiao; Liu, Zhiqiang; Sun, Jing Zhi; Yu, Xiaoqiang
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	3
Pages of publication	661 - 670
a	6.9063 ± 0.0002 Å
b	7.9318 ± 0.0002 Å
c	30.157 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1651.98 ± 0.07 Å³
Cell temperature	173 ± 0.02 K
Ambient diffraction temperature	173 ± 0.02 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1385
Weighted residual factors for all reflections included in the refinement	0.1451
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
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
257424 (current)	2020-10-06	cif/ Updating files of 1557107, 1557108, 1557109 Original log message: Adding full bibliography for 1557107--1557109.cif.	1557109.cif
247101	2020-01-23	cif/ Adding structures of 1557107, 1557108, 1557109 via cif-deposit CGI script.	1557109.cif