Information card for entry 1506084

Structure parameters

• Formula: C25 H34 N2 O5 S
• Calculated formula: C25 H34 N2 O5 S
• SMILES: S1(=O)(=O)N(C(=O)[C@@H]2N[C@@H]([C@@H](C2)C(=O)OC)CCc2ccccc2)[C@@H]2[C@@]3(C1)CC[C@@H](C2)C3(C)C
• Title of publication: Asymmetric multicomponent [C+NC+CC] synthesis of highly functionalized pyrrolidines catalyzed by silver(I).
• Authors of publication: Garner, Philip; Kaniskan, H. Umit; Hu, Jieyu; Youngs, Wiley J.; Panzner, Matthew
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 17
• Pages of publication: 3647 - 3650
• a: 25.555 ± 0.003 Å
• b: 7.2399 ± 0.0009 Å
• c: 15.3012 ± 0.0018 Å
• α: 90°
• β: 122.954 ± 0.002°
• γ: 90°
• Cell volume: 2375.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No