Information card for entry 4065277

Structure parameters

• Formula: C24 H36 O2 P2 Ru
• Calculated formula: C24 H36 O2 P2 Ru
• SMILES: [Ru]12345678(P9[C]4(=[CH]3[CH]2=[C]19C(C)(C)C)C(C)(C)C)P1[C]8(=[CH]7[C]6(=[C]51C(=O)C)C(=O)C)C(C)(C)C
• Title of publication: Homoannular Double Friedel‒Crafts Acylation of Phosphametallocenes
• Authors of publication: Ogasawara, Masamichi; Ogura, Morihiko; Sakamoto, Takeshi; Watanabe, Susumu; Arae, Sachie; Nakajima, Kiyohiko; Takahashi, Tamotsu
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 18
• Pages of publication: 5045
• a: 11.826 ± 0.005 Å
• b: 9.947 ± 0.003 Å
• c: 21.451 ± 0.007 Å
• α: 90°
• β: 98.782 ± 0.014°
• γ: 90°
• Cell volume: 2493.8 ± 1.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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 significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.2491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No