Information card for entry 4029200

Structure parameters

• Formula: C22 H27 N O6 S
• Calculated formula: C22 H27 N O6 S
• SMILES: S(=O)(=O)([C@H]1[C@@H](N(C(=O)[C@H](C1)C)C)c1c(OC)cc(OC)cc1OC)c1ccccc1.S(=O)(=O)([C@@H]1[C@H](N(C(=O)[C@@H](C1)C)C)c1c(OC)cc(OC)cc1OC)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: 7.6276 ± 0.0008 Å
• b: 10.0615 ± 0.001 Å
• c: 13.8356 ± 0.0014 Å
• α: 87.1409 ± 0.0013°
• β: 80.4019 ± 0.0014°
• γ: 85.7471 ± 0.0013°
• Cell volume: 1043.31 ± 0.18 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0297
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No