Crystallography Open Database

Information card for entry 1514316

Preview

Coordinates	1514316.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	none
Formula	C38 H37 F N3 O4 S Sb
Calculated formula	C38 H37 F N3 O4 S Sb
Title of publication	Lewis acidic stiborafluorenes for the fluorescence turn-on sensing of fluoride in drinking water at ppm concentrations
Authors of publication	Hirai, Masato; Gabbaï, François P.
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	5
Pages of publication	1886
a	14.7131 ± 0.0016 Å
b	16.7493 ± 0.0018 Å
c	27.433 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6760.4 ± 1.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.0957
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514316.cif
109275	2014-04-10	cif/ Adding structures of 1514314, 1514315, 1514316 via cif-deposit CGI script.	1514316.cif