Information card for entry 4133715

Structure parameters

• Formula: C20 H15 O P
• Calculated formula: C20 H15 O P
• SMILES: P(=C=C=O)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Heavier Carbonyl Olefination: The Sila-Wittig Reaction.
• Authors of publication: Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 42
• Pages of publication: 16991 - 16996
• a: 10.6676 ± 0.0008 Å
• b: 10.118 ± 0.0009 Å
• c: 14.5035 ± 0.0011 Å
• α: 90°
• β: 93.603 ± 0.003°
• γ: 90°
• Cell volume: 1562.3 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0342
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No