Information card for entry 7236873

Structure parameters

• Formula: C3 H3.5 N0.5 S1.5
• Calculated formula: C3 H3.5 N0.5 S1.5
• 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: 4.3845 ± 0.0002 Å
• b: 7.1311 ± 0.0004 Å
• c: 12.7965 ± 0.0006 Å
• α: 90.248 ± 0.002°
• β: 97.646 ± 0.002°
• γ: 98.184 ± 0.002°
• Cell volume: 392.39 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0202
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.0476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No