Information card for entry 7241375

Structure parameters

• Formula: C26 H16 N2 O2 S4
• Calculated formula: C26 H16 N2 O2 S4
• Title of publication: Structures and transistor properties of extended and unsymmetrical birhodanines
• Authors of publication: Sumimoto, Yuji; Iijima, Kodai; Yoo, Dongho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 12.6138 ± 0.0004 Å
• b: 5.52905 ± 0.00016 Å
• c: 16.8453 ± 0.0005 Å
• α: 90°
• β: 100.868 ± 0.0015°
• γ: 90°
• Cell volume: 1153.76 ± 0.06 ų
• Cell temperature: 274 K
• Ambient diffraction temperature: 274 K
• Number of distinct elements: 5
• 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: 0.1625
• Residual factor for significantly intense reflections: 0.1024
• Weighted residual factors for significantly intense reflections: 0.2524
• Weighted residual factors for all reflections included in the refinement: 0.3367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No