Information card for entry 1529284

Structure parameters

• Formula: C17 H27 N O2
• Calculated formula: C17 H27 N O2
• SMILES: O=C1[C@H]2[C@@]3([C@H](C1)C[C@H](C[C@@H]3O)C)C[C@@H]1CN(C)CC[C@H]21
• Title of publication: Exceedingly Concise and Elegant Synthesis of (+)-Paniculatine, (-)-Magellanine, and (+)-Magellaninone.
• Authors of publication: Lin, Kuo-Wei; Ananthan, Bakthavachalam; Tseng, Sheng-Fang; Yan, Tu-Hsin
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 15
• Pages of publication: 3938 - 3940
• a: 8.2578 ± 0.0003 Å
• b: 7.6701 ± 0.0003 Å
• c: 12.4589 ± 0.0005 Å
• α: 90°
• β: 99.389 ± 0.003°
• γ: 90°
• Cell volume: 778.55 ± 0.05 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0423
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No