Information card for entry 4111350

Structure parameters

• Formula: C18 H29 N O4
• Calculated formula: C18 H29 N O4
• SMILES: C1(=O)C[C@@H](C[C@H]2[C@@H]3[C@@H](C[C@H](C[C@@H]12)CN3C(=O)OC(C)(C)C)O)C
• Title of publication: Total Syntheses of (+)-Lyconadin A and (-)-Lyconadin B
• Authors of publication: Douglas C. Beshore; Amos B. Smith
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 4148 - 4149
• a: 9.5676 ± 0.0009 Å
• b: 8.9088 ± 0.0007 Å
• c: 11.0762 ± 0.0009 Å
• α: 90°
• β: 108.677 ± 0.001°
• γ: 90°
• Cell volume: 894.37 ± 0.13 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 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: 0.0322
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No