Information card for entry 1502243

Structure parameters

• Chemical name: methyl (1,3-dimethyl-2-oxo-4,5-diphenylcyclopentyl)acetate
• Formula: C22 H24 O3
• Calculated formula: C22 H24 O3
• SMILES: O=C1[C@]([C@@H]([C@H]([C@@H]1C)c1ccccc1)c1ccccc1)(CC(=O)OC)C.O=C1[C@@]([C@H]([C@@H]([C@H]1C)c1ccccc1)c1ccccc1)(CC(=O)OC)C
• Title of publication: Homologous Mukaiyama reactions via trapping of the Nazarov intermediate with silyloxyalkenes.
• Authors of publication: Wu, Yen-Ku; McDonald, Robert; West, F. G.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 14
• Pages of publication: 3584 - 3587
• a: 11.6158 ± 0.0005 Å
• b: 10.8562 ± 0.0004 Å
• c: 14.9637 ± 0.0006 Å
• α: 90°
• β: 98.5362 ± 0.0005°
• γ: 90°
• Cell volume: 1866.07 ± 0.13 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No