Information card for entry 4111349

Structure parameters

• Formula: C21 H25 N O4
• Calculated formula: C21 H25 N O4
• SMILES: [C@@H]12[C@@H]3C[C@H](CC(=O)[C@H]3C[C@H](CN2C(=O)OCc2ccccc2)CC1=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: 9.2969 ± 0.0009 Å
• b: 12.2219 ± 0.0011 Å
• c: 15.8158 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1797.1 ± 0.3 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 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: 0.0409
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0912
• 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