Information card for entry 7160211

Structure parameters

• Formula: C4 H2 N6 S2
• Calculated formula: C4 H2 N6 S2
• 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: 5.4717 ± 0.0003 Å
• b: 9.3558 ± 0.0005 Å
• c: 7.3148 ± 0.0004 Å
• α: 90°
• β: 95.154 ± 0.005°
• γ: 90°
• Cell volume: 372.95 ± 0.04 ų
• Cell temperature: 98.8 ± 0.6 K
• Ambient diffraction temperature: 98.8 ± 0.6 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: 0.0257
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No