Information card for entry 7238670

Structure parameters

• Common name: 7,7-Dimethyl-hexahydro-3H-tetraoxa-5-thia-clyclopenta- indaceneoxide
• Chemical name: 7,7-Dimethyl-hexahydro-3H-tetraoxa-5-thia-clyclopenta-indaceneoxide
• Formula: C12 H17 N O5 S
• Calculated formula: C11 H15 N O6 S
• Title of publication: Carbohydrate nitrone and nitrile oxide cycloaddition approach to chiral sulfur heterocycles and nucleosides
• Authors of publication: Mukherjee, Subhrangshu; Mandal, Sukhendu B.; Bhattacharjya, Anup
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 24
• Pages of publication: 8969
• a: 6.8767 ± 0.0005 Å
• b: 8.337 ± 0.0007 Å
• c: 11.2958 ± 0.0009 Å
• α: 89.913 ± 0.004°
• β: 75.058 ± 0.003°
• γ: 89.886 ± 0.004°
• Cell volume: 625.7 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 2.6
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No