Information card for entry 4115547

Structure parameters

• Formula: C16 H23 N O5
• Calculated formula: C16 H23 N O5
• SMILES: C([C@H]([C@H](CC(=O)OC)O)NC(=O)OCc1ccccc1)(C)C
• 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: 12.7757 ± 0.0003 Å
• b: 22.5429 ± 0.0005 Å
• c: 5.7753 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1663.29 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.051
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections: 0.1078
• Weighted residual factors for significantly intense reflections: 0.1038
• Goodness-of-fit parameter for all reflections: 1.163
• Goodness-of-fit parameter for significantly intense reflections: 1.168
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No