Crystallography Open Database

Information card for entry 7226518

Preview

Coordinates	7226518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 B F2 N O S
Calculated formula	C18 H14 B F2 N O S
SMILES	S(c1c([N]2=Cc3c(O[B]2(F)F)ccc2c3cccc2)cccc1)C
Title of publication	Boranil dye based “turn-on” fluorescent probes for detection of hydrogen peroxide and their cell imaging application
Authors of publication	Shanmugapriya, Jayabalan; Rajaguru, Kandasamy; Sivaraman, Gandhi; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai
Journal of publication	RSC Adv.
Year of publication	2016
Journal volume	6
Journal issue	89
Pages of publication	85838
a	10.661 ± 0.002 Å
b	11.234 ± 0.002 Å
c	25.712 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3079.4 ± 1 Å³
Cell temperature	110.15 K
Ambient diffraction temperature	110.15 K
Number of distinct elements	7
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	0.0675
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.0822
Weighted residual factors for all reflections included in the refinement	0.0915
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
186504 (current)	2016-09-10	cif/ Adding structures of 7226518, 7226519 via cif-deposit CGI script.	7226518.cif