Information card for entry 4066417

Structure parameters

• Formula: C34 H68 B Li2 O5 P Si2
• Calculated formula: C34 H68 B Li2 O5 P Si2
• SMILES: [Li]1([O]2CCCC2)([O]2CCCC2)[C@@H]([P]([BH]2[H][Li]([H]2)([O]2CCCC2)([O]2CCCC2)[O]2CCCC2)(c2ccccc2)[C@@H]1[Si](C)(C)C)[Si](C)(C)C
• Title of publication: Synthesis, Structure, and Solution Behavior of a Phosphine−Borane-Stabilized 1,3-Dicarbanion†
• Authors of publication: Izod, Keith; Wills, Corinne; Clegg, William; Harrington, Ross W.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 4774
• a: 10.193 ± 0.004 Å
• b: 11.322 ± 0.0014 Å
• c: 19.021 ± 0.004 Å
• α: 86.085 ± 0.013°
• β: 82.76 ± 0.02°
• γ: 75.133 ± 0.012°
• Cell volume: 2103.2 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No