Information card for entry 1501937

Structure parameters

• Formula: C24 H28 O6
• Calculated formula: C24 H28 O6
• SMILES: O1[C@]23CCC[C@H]3[C@]34O[C@@H](O[C@@]3([C@@]1(C(=O)C2)C(=O)OCC)CCCC4)c1ccccc1.O1[C@@]23CCC[C@@H]3[C@@]34O[C@H](O[C@]3([C@]1(C(=O)C2)C(=O)OCC)CCCC4)c1ccccc1
• Title of publication: Expedient route to the tigliane-daphnane skeleton via oxonium ylide [1,2]-shift.
• Authors of publication: Stewart, Craig; McDonald, Robert; West, F. G.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 720 - 723
• a: 12.2754 ± 0.0013 Å
• b: 17.8152 ± 0.0018 Å
• c: 9.485 ± 0.001 Å
• α: 90°
• β: 100.204 ± 0.0012°
• γ: 90°
• Cell volume: 2041.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0693
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No