Information card for entry 1516030

Structure parameters

• Formula: C30 H25 N O P2
• Calculated formula: C30 H25 N O P2
• SMILES: P1(Oc2c(N1P(c1ccccc1)c1ccccc1)cccc2)(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: 8.701 ± 0.002 Å
• b: 10.666 ± 0.001 Å
• c: 13.938 ± 0.0013 Å
• α: 70.248 ± 0.001°
• β: 84.203 ± 0.003°
• γ: 81.578 ± 0.003°
• Cell volume: 1202.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No