Information card for entry 4303119

Structure parameters

• Formula: C20 H23 P
• Calculated formula: C20 H23 P
• SMILES: Pc1c(cc(cc1C(C)C)C#Cc1ccccc1)C(C)C
• Title of publication: Phosphines Bearing Alkyne Substituents: Synthesis and Hydrophosphination Polymerization
• Authors of publication: Sharonna Greenberg; Douglas W. Stephan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8623 - 8631
• a: 12.8438 ± 0.0018 Å
• b: 10.7033 ± 0.0015 Å
• c: 13.4456 ± 0.0019 Å
• α: 90°
• β: 103.084 ± 0.002°
• γ: 90°
• Cell volume: 1800.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.0722
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.161
• 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