Information card for entry 1516066

Structure parameters

• Formula: C19 H25 N3 O2
• Calculated formula: C19 H25 N3 O2
• SMILES: n1(c2ccccc2c2[C@H]3NCCC[C@]3(CCc12)CC(=O)N(C)C)O.n1(c2ccccc2c2[C@@H]3NCCC[C@@]3(CCc12)CC(=O)N(C)C)O
• Title of publication: Application of a Raney-cobalt-mediated tandem reductive cyclization protocol to total syntheses of the Aspidosperma alkaloids (±)-limaspermidine and (±)-1-acetylaspidoalbidine.
• Authors of publication: Tan, Shen H.; Banwell, Martin G.; Willis, Anthony C.; Reekie, Tristan A.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 22
• Pages of publication: 5621 - 5623
• a: 10.5786 ± 0.0002 Å
• b: 10.5791 ± 0.0003 Å
• c: 15.5501 ± 0.0004 Å
• α: 90°
• β: 104.447 ± 0.0016°
• γ: 90°
• Cell volume: 1685.22 ± 0.07 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No