Information card for entry 2200267

Structure parameters

• Formula: C12 H16 N4 O4 S4
• Calculated formula: C12 H16 N4 O4 S4
• Title of publication: 1,5-[5,5'-(3-Oxa-1,5-pentylenedithio)bis(2,3-dihydro-2-oxo-1,3,4-thiadiazol-3-yl)]-3-oxapentane
• Authors of publication: Cho, Nam Sook; Hong, Soon Il; Kim, Jin-Gyu; Suh, Il-Hwan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: o434 - o435
• a: 8.7369 ± 0.0008 Å
• b: 15.741 ± 0.003 Å
• c: 13.3967 ± 0.0012 Å
• α: 90°
• β: 103.833 ± 0.008°
• γ: 90°
• Cell volume: 1789 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes