Information card for entry 4026538

Structure parameters

• Formula: C11 H20 N2 O4 S
• Calculated formula: C11 H20 N2 O4 S
• SMILES: S1(=O)(=O)C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2CNC[C@H]12.S1(=O)(=O)C[C@H](NC(=O)OC(C)(C)C)[C@H]2CNC[C@@H]12
• Title of publication: An Entry into Hexahydro-2H-thieno[2,3-c]pyrrole 1,1-Dioxide Derivatives
• Authors of publication: Vladimir S. Yarmolchuk; Ivan L. Mukan; Oleksandr O. Grygorenko; Andrey A. Tolmachev; Svitlana V. Shishkina; Oleg V. Shishkin; Igor V. Komarov
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 7010 - 7016
• a: 20.08 Å
• b: 5.978 Å
• c: 12.389 Å
• α: 90°
• β: 104.4°
• γ: 90°
• Cell volume: 1440.43 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0916
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1839
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No