Information card for entry 2019742

Structure parameters

• Chemical name: (<i>S</i>,<i>S</i>)-(Ethane-1,2-diyl)bis[(2-methylphenyl)phenylphosphane]
• Formula: C28 H28 P2
• Calculated formula: C28 H28 P2
• SMILES: P(c1ccccc1C)(c1ccccc1)CCP(c1ccccc1C)c1ccccc1
• Title of publication: An enantiomerically pure P-stereogenic bisphosphine: (<i>S</i>,<i>S</i>)-ethylenebis[(2-methylphenyl)phenylphosphine] (<i>o</i>-tolyl-DiPAMP)
• Authors of publication: Bendzińska-Berus, Wioletta; Kaik-King, Magdalena; King, Gary; Rychlewska, Urszula
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: 1174 - 1177
• a: 5.9725 ± 0.0001 Å
• b: 17.0935 ± 0.0002 Å
• c: 22.8179 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2329.5 ± 0.06 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes