Crystallography Open Database

Information card for entry 7153827

Preview

Coordinates	7153827.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20 I N O
Calculated formula	C19 H20 I N O
Title of publication	A colorimetric and ratiometric fluorescent probe for distinguishing cysteine from biothiols in water and living cells.
Authors of publication	Han, Qingxin; Shi, Zhaohua; Tang, Xiaoliang; Yang, Lizi; Mou, Zuolin; Li, Jing; Shi, Jinmin; Chen, Chunyang; Liu, Wei; Yang, Huan; Liu, Weisheng
Journal of publication	Organic & biomolecular chemistry
Year of publication	2014
Journal volume	12
Journal issue	27
Pages of publication	5023 - 5030
a	20.3874 ± 0.0008 Å
b	6.9055 ± 0.0003 Å
c	12.3088 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1732.9 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0348
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.1328
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
180324 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/38.	7153827.cif
119509	2014-07-07	cif/ Updating files of 7153827 Original log message: Adding full bibliography for 7153827.cif.	7153827.cif
113629	2014-05-13	cif/ Adding structures of 7153827 via cif-deposit CGI script.	7153827.cif