Information card for entry 4115548

Structure parameters

• Formula: C16 H28 N2 O5
• Calculated formula: C16 H28 N2 O5
• SMILES: C1CC[C@@H](C(=O)N([C@@H](C(=O)OC)CC(C)C)C)N1C(=O)[C@H](C)O
• Title of publication: Total Syntheses and Biological Investigations of Tamandarins A and B and Tamandarin A Analogs
• Authors of publication: Bo Liang; David J. Richard; Padma S. Portonovo; Madeleine M. Joullié
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 4469 - 4474
• a: 11.5479 ± 0.0014 Å
• b: 5.9499 ± 0.0007 Å
• c: 14.0742 ± 0.0011 Å
• α: 90°
• β: 110.759 ± 0.007°
• γ: 90°
• Cell volume: 904.24 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections: 0.1426
• Weighted residual factors for significantly intense reflections: 0.1364
• Goodness-of-fit parameter for all reflections: 1.152
• Goodness-of-fit parameter for significantly intense reflections: 1.158
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No