Information card for entry 1516027

Structure parameters

• Formula: C32 H38 N2 P2
• Calculated formula: C32 H38 N2 P2
• SMILES: P(N(P(c1ccccc1)c1ccccc1)CCN(C(C)C)C(C)C)(c1ccccc1)c1ccccc1
• Title of publication: A survey of pendant donor-functionalised (N,O) phosphine ligands for Cr-catalysed ethylene tri- and tetramerisation
• Authors of publication: Suttil, James A.; Wasserscheid, Peter; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 8
• Pages of publication: 2574
• a: 10.216 ± 0.0007 Å
• b: 10.318 ± 0.0003 Å
• c: 14.379 ± 0.0006 Å
• α: 79.664 ± 0.002°
• β: 76.635 ± 0.002°
• γ: 71.842 ± 0.005°
• Cell volume: 1391.7 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71085 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No