Information card for entry 4029198

Structure parameters

• Formula: C20 H23 N O4 S
• Calculated formula: C20 H23 N O4 S
• SMILES: S(=O)(=O)([C@@H]1[C@H](N(C(=O)C1)CCC)c1c(OC)cccc1)c1ccccc1.S(=O)(=O)([C@H]1[C@@H](N(C(=O)C1)CCC)c1c(OC)cccc1)c1ccccc1
• Title of publication: Diastereoselective Synthesis of γ- and δ-Lactams from Imines and Sulfone-Substituted Anhydrides.
• Authors of publication: Sorto, Nohemy A.; Di Maso, Michael J.; Muñoz, Manuel A; Dougherty, Ryan J.; Fettinger, James C.; Shaw, Jared T.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 6
• Pages of publication: 2601 - 2610
• a: 9.252 ± 0.0006 Å
• b: 19.5079 ± 0.0012 Å
• c: 10.9612 ± 0.0007 Å
• α: 90°
• β: 112.651 ± 0.001°
• γ: 90°
• Cell volume: 1825.8 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No