Information card for entry 2200194

Structure parameters

• Chemical name: Ethanedithiol Diacetate
• Formula: C6 H10 O2 S2
• Calculated formula: C6 H10 O2 S2
• Title of publication: Ethanedithiol diacetate
• Authors of publication: Fleischer, Holger; Schollmeyer, Dieter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: o330 - o331
• a: 5.1677 ± 0.0006 Å
• b: 7.1944 ± 0.0009 Å
• c: 11.6869 ± 0.0015 Å
• α: 90°
• β: 100.449 ± 0.002°
• γ: 90°
• Cell volume: 427.3 ± 0.09 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 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: 0.0414
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes