Information card for entry 7241379

Structure parameters

• Formula: C11 H12 N2 O2 S4
• Calculated formula: C11 H12 N2 O2 S4
• SMILES: S=C1S/C(C(=O)N1C)=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: 26.578 ± 0.007 Å
• b: 7.813 ± 0.003 Å
• c: 7.2475 ± 0.0012 Å
• α: 90°
• β: 93.773 ± 0.017°
• γ: 90°
• Cell volume: 1501.7 ± 0.7 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 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: 0.1071
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No