Information card for entry 2200544

Structure parameters

• Common name: 3-(phenylpropyl)diphenylphosphine
• Chemical name: Diphenyl(3-phenylpropyl)phosphine
• Formula: C21 H21 P
• Calculated formula: C21 H21 P
• SMILES: P(CCCc1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Diphenyl(3-phenylpropyl)phosphine
• Authors of publication: Bond, Andrew D.; Brown, David B.; Harper, Joanne R.; Johnson, Brian F. G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: o615 - o616
• a: 5.7499 ± 0.0002 Å
• b: 18.097 ± 0.0011 Å
• c: 16.0028 ± 0.0008 Å
• α: 90°
• β: 91.421 ± 0.003°
• γ: 90°
• Cell volume: 1664.67 ± 0.14 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• 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: 0.0999
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes