Information card for entry 7152855

Structure parameters

• Common name: 04csf005
• Formula: C40 H47 N O7
• Calculated formula: C40 H47 N O7
• SMILES: O([C@H]1[C@@H](C[C@@]2(C(=C1)[C@H](OCc1ccc(OC)cc1)[C@@H]([C@H](C2)C)[C@@H](C(=O)OCc1ccc(OC)cc1)C)C#N)C)Cc1ccc(OC)cc1.O([C@@H]1[C@H](C[C@]2(C(=C1)[C@@H](OCc1ccc(OC)cc1)[C@H]([C@@H](C2)C)[C@H](C(=O)OCc1ccc(OC)cc1)C)C#N)C)Cc1ccc(OC)cc1
• 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: 10.6749 ± 0.0008 Å
• b: 11.6338 ± 0.0009 Å
• c: 17.366 ± 0.0011 Å
• α: 108.132 ± 0.003°
• β: 103.266 ± 0.003°
• γ: 110.833 ± 0.004°
• Cell volume: 1769.5 ± 0.2 ų
• Cell temperature: 273 ± 1 K
• Ambient diffraction temperature: 273 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No