Information card for entry 7056564

Structure parameters

• Formula: C20 H12 I2
• Calculated formula: C20 H12 I2
• SMILES: c1cc(I)c2ccccc2c1c1ccc(I)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: 27.406 ± 0.003 Å
• b: 6.3564 ± 0.0006 Å
• c: 9.5554 ± 0.0009 Å
• α: 90°
• β: 106.745 ± 0.0017°
• γ: 90°
• Cell volume: 1594 ± 0.3 ų
• 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: 0.0342
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No