Information card for entry 4079778

Structure parameters

• Formula: C20 H15 P
• Calculated formula: C20 H15 P
• SMILES: P1(c2ccccc2C=Cc2ccccc12)c1ccccc1
• Title of publication: Dibenzo[b,f]phosphepines: Novel Phosphane‒Olefin Ligands for Transition Metals
• Authors of publication: Lyaskovskyy, Volodymyr; van Dijk-Moes, Relinde J. A.; Burck, Sebastian; Dzik, Wojciech I.; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris; de Bruin, Bas; Lammertsma, Koop
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 2
• Pages of publication: 363
• a: 24.6463 ± 0.0009 Å
• b: 7.9461 ± 0.0002 Å
• c: 17.3073 ± 0.0007 Å
• α: 90°
• β: 118.825 ± 0.002°
• γ: 90°
• Cell volume: 2969.52 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No