Crystallography Open Database

Information card for entry 1515939

Preview

Coordinates	1515939.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H36 N4 O3
Calculated formula	C35 H36 N4 O3
SMILES	CCN(c1ccc2c(c1)Oc1c(C32N(NC(=O)c2ccccc2)C(=O)c2c3cccc2)ccc(c1)N(CC)CC)CC
Title of publication	A highly sensitive acidic pH fluorescent probe and its application to HepG2 cells.
Authors of publication	Zhang, Wenshen; Tang, Bo; Liu, Xia; Liu, Yuanyuan; Xu, Kehua; Ma, Jianping; Tong, Lili; Yang, Guiwen
Journal of publication	The Analyst
Year of publication	2009
Journal volume	134
Journal issue	2
Pages of publication	367 - 371
a	10.054 ± 0.002 Å
b	12.46 ± 0.003 Å
c	14.07 ± 0.004 Å
α	67.827 ± 0.003°
β	84.198 ± 0.004°
γ	67.677 ± 0.004°
Cell volume	1508.1 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1174
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1648
Weighted residual factors for all reflections included in the refinement	0.1971
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515939.cif
112481	2014-05-01	cif/ Adding structures of 1515939 via cif-deposit CGI script.	1515939.cif