Information card for entry 7152857

Structure parameters

• Formula: C19 H29 N O6
• Calculated formula: C19 H29 N O6
• SMILES: C1[C@H]([C@@H]([C@H]([C@@]23[C@@H]([C@@H]([C@H](C[C@]12C#N)C)[C@@](O3)(C(=O)OC)C)OC)O)OC)C.C1[C@@H]([C@H]([C@@H]([C@]23[C@H]([C@H]([C@@H](C[C@@]12C#N)C)[C@](O3)(C(=O)OC)C)OC)O)OC)C
• Title of publication: Towards the enantioselective synthesis of (-)-euonyminol‒preparation of a fully functionalised lower-rim model.
• Authors of publication: Webber, Matthew J; Warren, Sarah A; Grainger, Damian M; Weston, Matthew; Clark, Stacy; Woodhead, Steven J; Powell, Lyn; Stokes, Stephen; Alanine, Alexander; Stonehouse, Jeffrey P; Frampton, Christopher S; White, Andrew J P; Spivey, Alan C
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 15
• Pages of publication: 2514 - 2533
• a: 10.6847 ± 0.0002 Å
• b: 12.1746 ± 0.0003 Å
• c: 14.678 ± 0.0003 Å
• α: 90°
• β: 95.328 ± 0.002°
• γ: 90°
• Cell volume: 1901.09 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0407
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No