Information card for entry 7101653

Structure parameters

• Formula: C34 H31 O6 P Ru
• Calculated formula: C34 H31 O6 P Ru
• SMILES: [Ru]123([P](c4ccccc4C(=O)O1)(c1ccccc1)c1ccccc1)(C[CH]2=[CH]3c1ccccc1)(C#[O])C#[O].O(C(=O)C)CC
• Title of publication: Ruthenium-catalysed linear-selective allylic alkylation of allyl acetates.
• Authors of publication: Kawatsura, Motoi; Ata, Fumio; Wada, Shohei; Hayase, Shuichi; Uno, Hidemitsu; Itoh, Toshiyuki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 3
• Pages of publication: 298 - 300
• a: 12.846 ± 0.002 Å
• b: 16.061 ± 0.003 Å
• c: 14.566 ± 0.004 Å
• α: 90°
• β: 90.612 ± 0.011°
• γ: 90°
• Cell volume: 3005.1 ± 1.1 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• 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: 0.1064
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No