Crystallography Open Database

Information card for entry 7055088

Preview

Coordinates	7055088.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 N4 O4 S2
Calculated formula	C24 H24 N4 O4 S2
SMILES	s1c2ccccc2nc1c1cc(cc(c1O)/C=N/NC(=O)c1nc(ccc1)CO)C.S(=O)(C)C
Title of publication	ESIPT and CHEF based highly sensitive and selective ratiometric sensor for Al3+with imaging in human blood cells
Authors of publication	Das, Sangita; Goswami, Shyamaprosad; Aich, Krishnendu; Ghoshal, Kakali; Quah, Ching Kheng; Bhattacharyya, Maitree; Fun, Hoong-Kun
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	11
Pages of publication	8582
a	23.177 ± 0.005 Å
b	8.5606 ± 0.0017 Å
c	23.924 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4746.7 ± 1.7 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1569
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1553
Weighted residual factors for all reflections included in the refinement	0.2121
Goodness-of-fit parameter for all reflections included in the refinement	0.962
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
171316 (current)	2015-12-09	cif/ Updating files of 7055088 Original log message: Adding full bibliography for 7055088.cif.	7055088.cif
153930	2015-09-04	cif/ Adding structures of 7055088 via cif-deposit CGI script.	7055088.cif