Information card for entry 4135463

Structure parameters

• Formula: C20 H20 K2 N2 O12
• Calculated formula: C20 H20 K2 N2 O12
• Title of publication: Crystal Lattice Design of H2O-Tolerant n-Type Semiconducting Dianionic Naphthalenediimide Derivatives
• Authors of publication: Abe, Haruka; Kawasaki, Ayumi; Takeda, Takashi; Hoshino, Norihisa; Matsuda, Wakana; Seki, Shu; Akutagawa, Tomoyuki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 16.2707 Å
• b: 8.4478 Å
• c: 8.1981 Å
• α: 90°
• β: 91.212°
• γ: 90°
• Cell volume: 1126.59 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.1719
• Residual factor for significantly intense reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.2266
• Weighted residual factors for all reflections included in the refinement: 0.3068
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No