Crystallography Open Database

Information card for entry 1515961

Preview

Coordinates	1515961.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H26 N4 O4
Calculated formula	C36 H26 N4 O4
SMILES	CCN(c1ccc2c(c1)Oc1c(C32c2ccccc2C(N3/N=C/c2ccccc2C(=O)O)=O)ccc(c1)N(CC)CC)CC
Title of publication	Rhodamine hydrazone derivatives as Hg2+ selective fluorescent and colorimetric chemosensors and their applications to bioimaging and microfluidic system.
Authors of publication	Kim, Ha Na; Nam, Seong-Won; Swamy, K. M. K.; Jin, Yan; Chen, Xiaoqiang; Kim, Yonugmee; Kim, Sung-Jin; Park, Sungsu; Yoon, Juyoung
Journal of publication	The Analyst
Year of publication	2011
Journal volume	136
Journal issue	7
Pages of publication	1339 - 1343
a	9.23 ± 0.002 Å
b	12.017 ± 0.003 Å
c	14.264 ± 0.004 Å
α	80.136 ± 0.005°
β	84.48 ± 0.005°
γ	87.213 ± 0.005°
Cell volume	1550.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1892
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.1705
Weighted residual factors for all reflections included in the refinement	0.2154
Goodness-of-fit parameter for all reflections included in the refinement	0.856
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.	1515961.cif
112688	2014-05-03	cif/ Adding structures of 1515961 via cif-deposit CGI script.	1515961.cif