Information card for entry 7241378

Structure parameters

• Formula: C10 H10 N2 O2 S4
• Calculated formula: C10 H10 N2 O2 S4
• SMILES: S1/C(C(=O)NC1=S)=C1\SC(=S)N(C1=O)CCCC
• 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: 14.3245 ± 0.0009 Å
• b: 4.9698 ± 0.0003 Å
• c: 19.9041 ± 0.0012 Å
• α: 90°
• β: 106.595 ± 0.003°
• γ: 90°
• Cell volume: 1357.95 ± 0.15 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1507
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.2123
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No