Information card for entry 7007781

Structure parameters

• Formula: C24 H27 P
• Calculated formula: C24 H27 P
• SMILES: P(c1c(cccc1)CC)(c1c(cccc1)CC)c1c(cccc1)CC
• Title of publication: A molecular mechanics approach to mapping the conformational space of diaryl and triarylphosphines.
• Authors of publication: Fey, Natalie; Howell, James A. S.; Lovatt, Jonathan D.; Yates, Paul C.; Cunningham, Desmond; McArdle, Patrick; Gottlieb, Hugo E.; Coles, Simon J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 46
• Pages of publication: 5464 - 5475
• a: 10.737 ± 0.002 Å
• b: 12.291 ± 0.002 Å
• c: 15.286 ± 0.002 Å
• α: 90°
• β: 90.39 ± 0.02°
• γ: 90°
• Cell volume: 2017.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No