Information card for entry 7160214

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: 5.4747 ± 0.0002 Å
• b: 15.4161 ± 0.0006 Å
• c: 10.5241 ± 0.0004 Å
• α: 90°
• β: 104.253 ± 0.004°
• γ: 90°
• Cell volume: 860.88 ± 0.06 ų
• Cell temperature: 199.95 ± 0.1 K
• Ambient diffraction temperature: 199.95 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No