Information card for entry 4505805

Structure parameters

• Common name: 1:1:2 Molecular complex of oxalic acid, trans-1,4-dithiane-1,4-dioxide and water
• Chemical name: 1:1:2 Molecular complex of oxalic acid,trans-1,4-dithiane-1,4-dioxide and water
• Formula: C3 H7 O4 S
• Calculated formula: C3 H7 O4 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: 6.264 ± 0.0013 Å
• b: 6.657 ± 0.0013 Å
• c: 7.613 ± 0.0015 Å
• α: 100.12 ± 0.03°
• β: 97.09 ± 0.03°
• γ: 114.2 ± 0.03°
• Cell volume: 278.22 ± 0.13 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: 0.039
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No