Information card for entry 7160210

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: 3.7758 ± 0.0004 Å
• b: 18.2803 ± 0.0016 Å
• c: 5.4893 ± 0.0007 Å
• α: 90°
• β: 109.377 ± 0.013°
• γ: 90°
• Cell volume: 357.42 ± 0.07 ų
• Cell temperature: 98.4 ± 0.8 K
• Ambient diffraction temperature: 98.4 ± 0.8 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No