Crystallography Open Database

Information card for entry 7056567

Preview

Coordinates	7056567.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H22
Calculated formula	C32 H22
SMILES	c1(ccc(c2ccccc12)c1ccccc1)c1ccc(c2ccccc12)c1ccccc1
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	10.1208 ± 0.0004 Å
b	25.0267 ± 0.001 Å
c	33.4392 ± 0.0014 Å
α	90°
β	92.0165 ± 0.0013°
γ	90°
Cell volume	8464.6 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1097
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.1648
Weighted residual factors for all reflections included in the refinement	0.2076
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	7056567.cif