Information card for entry 2202652

Structure parameters

• Common name: Bis[1,2-bis(p-ethylbenzene)phosphino]benzene
• Chemical name: Bis[1,2-bis(p-ethylbenzene)phosphino]benzene
• Formula: C38 H40 P2
• Calculated formula: C38 H40 P2
• SMILES: P(c1ccc(CC)cc1)(c1ccccc1P(c1ccc(cc1)CC)c1ccc(cc1)CC)c1ccc(CC)cc1
• Title of publication: Bis[1,2-bis(<i>p</i>-ethylbenzene)phosphino]benzene
• Authors of publication: Hunter, Allen D.; Zeller, Matthias; McSparrin, Les
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1719 - o1720
• a: 11.097 ± 0.0007 Å
• b: 11.6441 ± 0.0007 Å
• c: 13.5466 ± 0.0008 Å
• α: 69.279 ± 0.001°
• β: 72.818 ± 0.001°
• γ: 89.604 ± 0.001°
• Cell volume: 1554.77 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes