Information card for entry 2019017

Structure parameters

• Chemical name: Tribenzylphosphane
• Formula: C21 H21 P
• Calculated formula: C21 H21 P
• SMILES: c1ccc(cc1)CP(Cc1ccccc1)Cc1ccccc1
• Title of publication: Tribenzylphosphane and its hydrochloride salt, tribenzylphosphonium hydrogen dichloride‒tribenzylphosphane (1/1)
• Authors of publication: Levason, William; Pugh, David; Reid, Gillian
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: 560 - 564
• a: 10.9287 ± 0.0008 Å
• b: 9.5775 ± 0.0007 Å
• c: 16.0272 ± 0.0012 Å
• α: 90°
• β: 91.051 ± 0.005°
• γ: 90°
• Cell volume: 1677.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0932
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No