Information card for entry 7007785

Structure parameters

• Formula: C15 H17 O P
• Calculated formula: C15 H17 O P
• SMILES: P(=O)(C)(c1c(cccc1)C)c1c(cccc1)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: 8.2401 ± 0.0009 Å
• b: 10.783 ± 0.0009 Å
• c: 15.5965 ± 0.001 Å
• α: 90°
• β: 102.28 ± 0.01°
• γ: 90°
• Cell volume: 1354.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0875
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections: 0.1431
• Weighted residual factors for significantly intense reflections: 0.1289
• Goodness-of-fit parameter for all reflections: 1.008
• Goodness-of-fit parameter for significantly intense reflections: 1.18
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No