Information card for entry 4126653

Structure parameters

• Formula: C63 H96 Li2 N2 O4 Si2
• Calculated formula: C63 H96 Li2 N2 O4 Si2
• Title of publication: Preparation, Properties, and Structures of the Radical Anions and Dianions of Azapentacenes.
• Authors of publication: Ji, Lei; Friedrich, Alexandra; Krummenacher, Ivo; Eichhorn, Antonius; Braunschweig, Holger; Moos, Michael; Hahn, Sebastian; Geyer, Florian L.; Tverskoy, Olena; Han, Jie; Lambert, Christoph; Dreuw, Andreas; Marder, Todd B.; Bunz, Uwe H. F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 16.9073 ± 0.001 Å
• b: 28.4712 ± 0.0018 Å
• c: 13.7433 ± 0.0008 Å
• α: 90°
• β: 111.174 ± 0.002°
• γ: 90°
• Cell volume: 6169 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No