Information card for entry 7152856

Structure parameters

• Formula: C19 H27 N O5
• Calculated formula: C17 H23 N O4
• SMILES: C1[C@H]([C@@H](C=C2[C@H]3[C@@H]([C@H](C[C@]12C#N)C)[C@](C(=O)O3)(OC)C)O)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: 16.17422 ± 0.00015 Å
• b: 16.17422 ± 0.00015 Å
• c: 7.32793 ± 0.00011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1917.03 ± 0.04 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No