Information card for entry 4111351

Structure parameters

• Formula: C13 H20 I N O
• Calculated formula: C13 H20 I N O
• SMILES: I[C@]12[C@@H]3C[C@@H](C[C@H]1[C@@H]1[C@@H](C[C@H](C2)CN31)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: 11.5465 ± 0.0008 Å
• b: 16.9259 ± 0.0007 Å
• c: 27.4768 ± 0.0015 Å
• α: 90°
• β: 91.208 ± 0.002°
• γ: 90°
• Cell volume: 5368.7 ± 0.5 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No