Information card for entry 2003253

Structure parameters

• Chemical name: 1-(2-Diphenylphosphinophenyl)-1-propanone
• Formula: C21 H19 O P
• Calculated formula: C21 H19 O P
• SMILES: P(c1c(C(=O)CC)cccc1)(c1ccccc1)c1ccccc1
• Title of publication: 2'-(Diphenylphosphino)propiophenone, a Functionalized Tertiary Phosphine
• Authors of publication: Rasley, B. T.; Rapta, M.; Kulawiec, R. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 3
• Pages of publication: 523 - 525
• a: 11.484 ± 0.003 Å
• b: 15.913 ± 0.004 Å
• c: 9.407 ± 0.003 Å
• α: 90°
• β: 101.46 ± 0.01°
• γ: 90°
• Cell volume: 1684.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0577
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.1045
• Weighted residual factors for significantly intense reflections: 0.0944
• Goodness-of-fit parameter for all reflections: 1.046
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No