Information card for entry 1516028

Structure parameters

• Formula: C30 H31 N O P2
• Calculated formula: C30 H31 N O P2
• SMILES: P(=NP(c1ccccc1)c1ccccc1)([C@H]1[C@H](O)CCCC1)(c1ccccc1)c1ccccc1.P(=NP(c1ccccc1)c1ccccc1)([C@@H]1[C@@H](O)CCCC1)(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: 8.608 ± 0.0007 Å
• b: 22.505 ± 0.0008 Å
• c: 13.765 ± 0.0008 Å
• α: 90°
• β: 106.913 ± 0.002°
• γ: 90°
• Cell volume: 2551.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No