Information card for entry 1505577

Structure parameters

• Common name: lithium-1,2-bis(diphenylphosphoryl)benzene 1:2 complex
• Formula: C60 H48 Li O11 P4
• Calculated formula: C60 H48 Li O11 P4
• SMILES: [Li]12([O]=P(c3c(P(=[O]2)(c2ccccc2)c2ccccc2)cccc3)(c2ccccc2)c2ccccc2)[O]=P(c2c(P(=[O]1)(c1ccccc1)c1ccccc1)cccc2)(c1ccccc1)c1ccccc1.O.O.O.O.O.O.O
• Title of publication: Sodium phenoxide-phosphine oxides as extremely active Lewis base catalysts for the Mukaiyama aldol reaction with ketones.
• Authors of publication: Hatano, Manabu; Takagi, Eri; Ishihara, Kazuaki
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 22
• Pages of publication: 4527 - 4530
• a: 18.691 ± 0.005 Å
• b: 20.136 ± 0.006 Å
• c: 18.096 ± 0.005 Å
• α: 90°
• β: 115.595 ± 0.005°
• γ: 90°
• Cell volume: 6142 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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: 0.2656
• Residual factor for significantly intense reflections: 0.1262
• Weighted residual factors for significantly intense reflections: 0.3283
• Weighted residual factors for all reflections included in the refinement: 0.3725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.584
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No