Crystallography Open Database

Information card for entry 7018913

Preview

Coordinates	7018913.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H22 N2 O7
Calculated formula	C29 H22 N2 O7
SMILES	c1cccc2c1C1(c3ccc(c(c3Oc3c1ccc(c3)O)/C=N/NC(=O)c1ccccc1)O)OC2=O.CO
Title of publication	Recognition of copper and hydrogen sulfide in vitro using a fluorescein derivative indicator
Authors of publication	Hou, Fengping; Cheng, Ju; Xi, Pinxian; Chen, Fengjuan; Huang, Liang; Xie, Gouqiang; Shi, Yanjun; Liu, Hongyan; Bai, Decheng; Zeng, Zhengzhi
Journal of publication	Dalton Transactions
Year of publication	2012
Journal volume	41
Journal issue	19
Pages of publication	5799
a	7.837 ± 0.004 Å
b	12.342 ± 0.006 Å
c	13.048 ± 0.007 Å
α	108.194 ± 0.005°
β	90.845 ± 0.006°
γ	90.795 ± 0.006°
Cell volume	1198.6 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.2081
Residual factor for significantly intense reflections	0.0897
Weighted residual factors for significantly intense reflections	0.1529
Weighted residual factors for all reflections included in the refinement	0.1928
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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
179893 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/89.	7018913.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018913.cif
55993	2012-05-08	cif/ Adding structures of 7018913 via cif-deposit CGI script.	7018913.cif