Crystallography Open Database

Information card for entry 7023677

Preview

Structure parameters

Formula	C23 H25 B F2 N2 S2
Calculated formula	C23 H25 B F2 N2 S2
Title of publication	New chemodosimetric probe for the specific detection of Hg(2+) in physiological condition and its utilisation for cell imaging studies.
Authors of publication	Saha, Sukdeb; Agarwalla, Hridesh; Gupta, Hariom; Baidya, Mithu; Suresh, E.; Ghosh, Sudip K.; Das, Amitava
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	42
Pages of publication	15097 - 15105
a	12.572 ± 0.003 Å
b	18.211 ± 0.005 Å
c	19.677 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4505 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.1515
Residual factor for significantly intense reflections	0.0974
Weighted residual factors for significantly intense reflections	0.1981
Weighted residual factors for all reflections included in the refinement	0.2235
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7023677.cif
179941	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/36.	7023677.cif
90604	2013-11-18	cif/ Adding structures of 7023677 via cif-deposit CGI script.	7023677.cif