Information card for entry 1502244

Structure parameters

• Formula: C27 H26 O3
• Calculated formula: C27 H26 O3
• SMILES: O1C(=O)[C@H]([C@@H]([C@H]([C@@H]1C)c1ccccc1)c1ccccc1)[C@@H](C)C(=O)c1ccccc1.O1C(=O)[C@@H]([C@H]([C@@H]([C@H]1C)c1ccccc1)c1ccccc1)[C@H](C)C(=O)c1ccccc1
• 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: 8.9761 ± 0.0004 Å
• b: 11.3076 ± 0.0005 Å
• c: 12.297 ± 0.0005 Å
• α: 63.7884 ± 0.0005°
• β: 78.2742 ± 0.0005°
• γ: 73.1019 ± 0.0005°
• Cell volume: 1067.35 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No