Crystallography Open Database

Information card for entry 1557108

Preview

Coordinates	1557108.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H87 I3 N5 O2
Calculated formula	C64 H87 I3 N5 O2
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	14.6729 ± 0.0007 Å
b	15.6807 ± 0.0007 Å
c	16.4518 ± 0.0007 Å
α	85.945 ± 0.004°
β	73.88 ± 0.004°
γ	62.636 ± 0.005°
Cell volume	3222.3 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0742
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1393
Weighted residual factors for all reflections included in the refinement	0.1579
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1557108.cif
247101	2020-01-23	cif/ Adding structures of 1557107, 1557108, 1557109 via cif-deposit CGI script.	1557108.cif