Information card for entry 4303117

Structure parameters

• Formula: C16 H13 Cl2 P
• Calculated formula: C16 H13 Cl2 P
• SMILES: P(Cl)(Cl)c1c(cc(C#Cc2ccccc2)cc1C)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: 7.7142 ± 0.0014 Å
• b: 8.2249 ± 0.0015 Å
• c: 12.28 ± 0.002 Å
• α: 81.541 ± 0.002°
• β: 82.734 ± 0.002°
• γ: 86.607 ± 0.002°
• Cell volume: 763.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No