Information card for entry 2023366

Structure parameters

• Chemical name: Bis(2,3,5,6-tetramethylphenyl)phosphine
• Formula: C20 H27 P
• Calculated formula: C20 H27 P
• Title of publication: Polymorphism in a secondary phosphine
• Authors of publication: Liu, Mo; Izod, Keith; Waddell, Paul G.
• Journal of publication: Acta Crystallographica Section C Structural Chemistry
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 2
• Pages of publication: 109 - 113
• a: 6.5476 ± 0.0002 Å
• b: 5.991 ± 0.0002 Å
• c: 21.5676 ± 0.0006 Å
• α: 90°
• β: 96.02 ± 0.002°
• γ: 90°
• Cell volume: 841.36 ± 0.04 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No