Information card for entry 2201955

Structure parameters

• Formula: C16 H28 S6
• Calculated formula: C16 H28 S6
• Title of publication: A dithietane of 2-methylpropanedithioic acid
• Authors of publication: Durif, André; Mahjoub, Ahmed; Zantour, Hédi; Masson, Serge; Saquet, Monique; Averbuch-Pouchot, Marie-Thérése
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: o545 - o546
• a: 8.923 ± 0.002 Å
• b: 6.082 ± 0.002 Å
• c: 19.828 ± 0.005 Å
• α: 90°
• β: 93.29 ± 0.02°
• γ: 90°
• Cell volume: 1074.3 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• 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: 0.0375
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections: 1.485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.485
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes