Crystallography Open Database

Information card for entry 7218514

Preview

Coordinates	7218514.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 N2 O2
Calculated formula	C28 H22 N2 O2
SMILES	O(C(=O)C=C)c1c(C2=NN(C(c3ccccc3)C2)c2ccccc2)ccc2c1cccc2
Title of publication	An effective fluorescent probe detects glutathione from other sulfhydryl compounds in aqueous solution and its living cell imaging
Authors of publication	Dai, Xi; Zhang, Tao; Li, Yun; Yan, Tao; Wang, Peng-Chong; Miao, Jun-Ying; Zhao, Bao-Xiang
Journal of publication	RSC Adv.
Year of publication	2014
a	8.835 ± 0.0019 Å
b	11.026 ± 0.002 Å
c	12.387 ± 0.003 Å
α	91.06 ± 0.004°
β	101.971 ± 0.003°
γ	109.109 ± 0.004°
Cell volume	1110.5 ± 0.4 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	0.0861
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1155
Weighted residual factors for all reflections included in the refinement	0.1373
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
180516 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/85.	7218514.cif
125492	2014-10-17	cif/ Adding structures of 7218514 via cif-deposit CGI script.	7218514.cif