Information card for entry 4505803

Structure parameters

• Common name: 1:1 Molecular complex of succinic acid and trans-1,4-dithiane-1,4-dioxide
• Chemical name: 1:1 Molecular complex of Succinic acid and trans-1,4-dithiane-1,4-dioxide
• Formula: C4 H7 O3 S
• Calculated formula: C4 H7 O3 S
• Title of publication: Molecular Complexes of Some Mono- and Dicarboxylic Acids withtrans-1,4-Dithiane-1,4-dioxide
• Authors of publication: Senthil Kumar, V. S.; Nangia, Ashwini; Katz, Amy K.; Carrell, H. L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2002
• Journal volume: 2
• Journal issue: 4
• Pages of publication: 313
• a: 6.221 ± 0.0012 Å
• b: 6.566 ± 0.0013 Å
• c: 7.685 ± 0.0015 Å
• α: 89.78 ± 0.03°
• β: 79.36 ± 0.03°
• γ: 64.55 ± 0.03°
• Cell volume: 277.56 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No