Information card for entry 1550577

Structure parameters

• Formula: C21 H34 Na O6 P
• Calculated formula: C21 H34 Na O6 P
• SMILES: P(=C(O[Na]1234[O]5CC[O]1CC[O]2CC[O]3CC[O]4CC5)c1ccccc1)C(C)(C)C
• Title of publication: Synthesis of acyl(chloro)phosphines enabled by phosphinidene transfer
• Authors of publication: Szkop, Kevin M.; Geeson, Michael Baily; Stephan, Douglas W.; Cummins, Christopher
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 18.5288 ± 0.0017 Å
• b: 14.5736 ± 0.0014 Å
• c: 19.2314 ± 0.0018 Å
• α: 90°
• β: 113.995 ± 0.002°
• γ: 90°
• Cell volume: 4744.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0502
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No