Information card for entry 7056567

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 ų
• 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 Fobs: No