Information card for entry 4135462

Structure parameters

• Formula: C20 H16 Cs2 N2 O10
• Calculated formula: C20 H12 Cs2 N2 O10
• 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: 5.1996 ± 0.0011 Å
• b: 6.5535 ± 0.0014 Å
• c: 16.494 ± 0.004 Å
• α: 92.691 ± 0.007°
• β: 95.914 ± 0.007°
• γ: 98.42 ± 0.007°
• Cell volume: 551.9 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.219
• Weighted residual factors for all reflections included in the refinement: 0.2437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No