Crystallography Open Database

Information card for entry 1550344

Preview

Coordinates	1550344.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H37 I N2
Calculated formula	C27 H37 I N2
SMILES	[I-].[nH]1cc(/C=C/c2cc[n+](CCCCCCCCCCCC)cc2)c2ccccc12
Title of publication	Reaction-free and MMP-independent fluorescent probes for long-term mitochondria visualization and tracking
Authors of publication	Zhang, Ruoyao; Niu, Guangle; Li, Xuechen; Guo, Lifang; Zhang, Huamiao; Yang, Rui; Chen, Yuncong; Yu, Xiaoqiang; Tang, Ben Zhong
Journal of publication	Chemical Science
Year of publication	2019
a	10.5322 ± 0.0002 Å
b	16.7869 ± 0.0004 Å
c	43.8778 ± 0.0008 Å
α	90°
β	90.202 ± 0.002°
γ	90°
Cell volume	7757.7 ± 0.3 Å³
Cell temperature	172.99 ± 0.1 K
Ambient diffraction temperature	172.99 ± 0.1 K
Number of distinct elements	4
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	0.0539
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1056
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	0.905
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
212536 (current)	2018-12-12	cif/ Adding structures of 1550343, 1550344 via cif-deposit CGI script.	1550344.cif