Information card for entry 1516067

Structure parameters

• Formula: C20 H29 N3 O2
• Calculated formula: C20 H29 N3 O2
• SMILES: [nH]1c2ccccc2c2[C@H]3NCCC[C@]3(CCc12)CC(=O)N(C)C.OC.[nH]1c2ccccc2c2[C@@H]3NCCC[C@@]3(CCc12)CC(=O)N(C)C.OC
• 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: 11.8836 ± 0.0001 Å
• b: 10.3003 ± 0.0002 Å
• c: 15.9702 ± 0.0002 Å
• α: 90°
• β: 109.242 ± 0.0009°
• γ: 90°
• Cell volume: 1845.62 ± 0.05 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: 0.0478
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections: 0.1124
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No