Crystallography Open Database

Information card for entry 7056559

Preview

Coordinates	7056559.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H12 F2
Calculated formula	C20 H12 F2
SMILES	c1(ccc(F)c2ccccc12)c1ccc(F)c2ccccc12
Title of publication	Reconnaissance of reactivity of an Ag(ii)SO4 one-electron oxidizer towards naphthalene derivatives
Authors of publication	Budniak, Adam K.; Masny, Michał; Prezelj, Kristina; Grzeszkiewicz, Mikołaj; Gawraczyński, Jakub; Dobrzycki, Łukasz; Cyrański, Michał K.; Koźmiński, Wiktor; Mazej, Zoran; Fijałkowski, Karol J.; Grochala, Wojciech; Leszczyński, Piotr J.
Journal of publication	New J. Chem.
Year of publication	2017
a	12.4551 ± 0.0009 Å
b	10.6234 ± 0.0008 Å
c	11.1894 ± 0.0008 Å
α	90°
β	115.483 ± 0.0016°
γ	90°
Cell volume	1336.49 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0979
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
200020 (current)	2017-08-31	cif/ Adding structures of 7056557, 7056558, 7056559, 7056560, 7056561, 7056562, 7056563, 7056564, 7056565, 7056566, 7056567, 7056568, 7056569, 7056570 via cif-deposit CGI script.	7056559.cif