Information card for entry 1503842

Structure parameters

• Formula: C24 H40 N2 O4 S
• Calculated formula: C24 H40 N2 O4 S
• SMILES: c1(ccc(cc1)S(=O)(=O)N1[C@H](CC[C@H]1CON1C(C)(C)CCCC1(C)C)C(C)C)OC
• Title of publication: Diastereoselective pyrrolidine synthesis via copper promoted intramolecular aminooxygenation of alkenes: formal synthesis of (+)-monomorine.
• Authors of publication: Paderes, Monissa C.; Chemler, Sherry R.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 1915 - 1918
• a: 8.1083 ± 0.0005 Å
• b: 10.844 ± 0.0006 Å
• c: 27.2736 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2398.1 ± 0.2 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No