Information card for entry 2010760

Structure parameters

• Chemical name: tribenzylphosphine oxide
• Formula: C21 H21 O P
• Calculated formula: C21 H21 O P
• SMILES: C(c1ccccc1)P(=O)(Cc1ccccc1)Cc1ccccc1
• Title of publication: Tribenzylphosphine oxide
• Authors of publication: Novoa de Armas, Héctor; Pérez, Hiram; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; López, José Manuel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: e98 - e99
• a: 16.685 ± 0.002 Å
• b: 16.685 ± 0.002 Å
• c: 5.468 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1318.3 ± 0.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes