Information card for entry 4026540

Structure parameters

• Formula: C20 H23 N O5 S2
• Calculated formula: C20 H23 N O5 S2
• SMILES: S1(=O)(=O)C[C@H](OS(=O)(=O)c2ccc(cc2)C)[C@H]2CN(C[C@@H]12)Cc1ccccc1.S1(=O)(=O)C[C@@H](OS(=O)(=O)c2ccc(cc2)C)[C@@H]2CN(C[C@H]12)Cc1ccccc1
• 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: 7.9436 ± 0.001 Å
• b: 10.6539 ± 0.0016 Å
• c: 13.268 ± 0.002 Å
• α: 107.76 ± 0.011°
• β: 107.42°
• γ: 90°
• Cell volume: 1015.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No