Information card for entry 7044381

Structure parameters

• Formula: C33 H52 Li O3 P
• Calculated formula: C33 H52 Li O3 P
• SMILES: P(c1c(cccc1C(C)C)C(C)C)(c1c(cc(cc1C)C)C)[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Desolvation and aggregation of sterically demanding alkali metal diarylphosphides
• Authors of publication: Izod, Keith; Evans, Peter; Waddell, Paul G.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.5265 ± 0.0004 Å
• b: 9.5469 ± 0.0005 Å
• c: 19.434 ± 0.001 Å
• α: 82.213 ± 0.004°
• β: 89.691 ± 0.004°
• γ: 65.484 ± 0.005°
• Cell volume: 1590.78 ± 0.15 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No