Information card for entry 4031998

Structure parameters

• Formula: C26 H37 N O5
• Calculated formula: C26 H37 N O5
• SMILES: N1[C@H]([C@@H]2[C@H]([C@H]1c1ccccc1)C(=O)[C@H](OC2)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C)C(=O)OCC
• Title of publication: Synthesis of Enantiomeric Polyhydroxyalkylpyrrolidines from 1,3-Dipolar Cycloadducts. Evaluation as Inhibitors of a β-Galactofuranosidase.
• Authors of publication: Oliveira Udry, Guillermo A.; Repetto, Evangelina; Vega, Daniel R.; Varela, Oscar
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 10
• Pages of publication: 4179 - 4189
• a: 5.5207 ± 0.0006 Å
• b: 12.938 ± 0.0012 Å
• c: 17.1775 ± 0.0013 Å
• α: 94.761 ± 0.007°
• β: 93.119 ± 0.007°
• γ: 97.721 ± 0.008°
• Cell volume: 1208.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1027
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No