Crystallography Open Database

Information card for entry 7056562

Preview

Coordinates	7056562.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H12 Br2
Calculated formula	C20 H12 Br2
SMILES	c1(ccc(Br)c2ccccc12)c1ccc(Br)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	13.619 ± 0.0007 Å
b	10.5374 ± 0.0006 Å
c	11.4528 ± 0.0006 Å
α	90°
β	115.295 ± 0.001°
γ	90°
Cell volume	1485.99 ± 0.14 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	0.0355
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.0812
Goodness-of-fit parameter for all reflections included in the refinement	1.167
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.	7056562.cif