Information card for entry 7241376

Structure parameters

• Formula: C18 H10 N2 O2 S4
• Calculated formula: C18 H10 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: 4.8107 ± 0.0004 Å
• b: 9.0732 ± 0.0006 Å
• c: 11.0382 ± 0.0006 Å
• α: 108.24 ± 0.003°
• β: 98.143 ± 0.004°
• γ: 96.693 ± 0.004°
• Cell volume: 446.3 ± 0.05 ų
• Cell temperature: 274 K
• Ambient diffraction temperature: 274 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: 0.1228
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.1775
• Weighted residual factors for all reflections included in the refinement: 0.2371
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No