Information card for entry 7104260

Structure parameters

• Formula: C25 H20 O2
• Calculated formula: C25 H20 O2
• SMILES: c1ccccc1C(=O)C1=CC[C@H]([C@@H]1C(=O)c1ccccc1)c1ccccc1.c1ccccc1C(=O)C1=CC[C@@H]([C@H]1C(=O)c1ccccc1)c1ccccc1
• Title of publication: Silicon as a directing group in the phosphine-catalyzed [2+3]-cycloaddition of aryl allenones with electron-deficient olefins.
• Authors of publication: Sampath, Magesh; Loh, Teck-Peng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 1568 - 1570
• a: 10.0894 ± 0.0003 Å
• b: 12.8635 ± 0.0004 Å
• c: 14.4821 ± 0.0004 Å
• α: 88.582 ± 0.002°
• β: 80.373 ± 0.002°
• γ: 80.914 ± 0.002°
• Cell volume: 1829.84 ± 0.09 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: 0.0681
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104242
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No