Information card for entry 7236870

Structure parameters

• Formula: C8 H6 N2 S6
• Calculated formula: C8 H6 N2 S6
• Title of publication: Birhodanines and their sulfur analogues for air-stable n-channel organic transistors
• Authors of publication: Iijima, Kodai; Le Gal, Yann; Higashino, Toshiki; Lorcy, Dominique; Mori, Takehiko
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 35
• Pages of publication: 9121
• a: 4.0461 ± 0.0003 Å
• b: 9.9861 ± 0.0007 Å
• c: 14.8584 ± 0.001 Å
• α: 90°
• β: 94.697 ± 0.003°
• γ: 90°
• Cell volume: 598.33 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0764
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.348
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No