Information card for entry 4086449

Structure parameters

• Formula: C32 H42 P2
• Calculated formula: C32 H42 P2
• SMILES: P(c1ccccc1)(c1ccccc1)CC=Pc1c(cc(C(C)(C)C)cc1C(C)(C)C)C(C)(C)C
• Title of publication: Streamlined Preparation and Coordination Chemistry of Hybrid Phosphine‒Phosphaalkene Ligands
• Authors of publication: Magnuson, Kevin W.; Oshiro, Shelly M.; Gurr, Joshua R.; Yoshida, Wesley Y.; Gembicky, Milan; Rheingold, Arnold L.; Hughes, Russell P.; Cain, Matthew F.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 6
• Pages of publication: 855 - 859
• a: 10.4449 ± 0.0013 Å
• b: 14.5401 ± 0.0016 Å
• c: 21.135 ± 0.002 Å
• α: 101.749 ± 0.003°
• β: 98.922 ± 0.004°
• γ: 110.134 ± 0.004°
• Cell volume: 2860.6 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.076
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No