Information card for entry 7160216

Structure parameters

• Formula: C8 H6 N4 S
• Calculated formula: C8 H6 N4 S
• Title of publication: Azophotoswitches containing thiazole, isothiazole, thiadiazole, and isothiadiazole.
• Authors of publication: Cheruthu, Nusaiba Madappuram; Hashim, P. K.; Sahu, Saugata; Takahashi, Kiyonori; Nakamura, Takayoshi; Mitomo, Hideyuki; Ijiro, Kuniharu; Tamaoki, Nobuyuki
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 23
• Journal issue: 1
• Pages of publication: 207 - 212
• a: 5.9619 ± 0.0003 Å
• b: 8.0466 ± 0.0006 Å
• c: 18.143 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 870.37 ± 0.09 ų
• Cell temperature: 200 ± 0.14 K
• Ambient diffraction temperature: 200 ± 0.14 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No