Information card for entry 7007782

Structure parameters

• Formula: C27 H33 P
• Calculated formula: C27 H33 P
• SMILES: P(c1c(cccc1)C(C)C)(c1c(cccc1)C(C)C)c1c(cccc1)C(C)C
• 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: 11.005 ± 0.002 Å
• b: 12.99 ± 0.003 Å
• c: 18.795 ± 0.005 Å
• α: 75.89 ± 0.02°
• β: 88.14 ± 0.02°
• γ: 69.87 ± 0.02°
• Cell volume: 2442.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections: 0.168
• Weighted residual factors for significantly intense reflections: 0.1568
• Goodness-of-fit parameter for all reflections: 1.218
• Goodness-of-fit parameter for significantly intense reflections: 1.336
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No