Information card for entry 4079779

Structure parameters

• Formula: C23 H21 P
• Calculated formula: C23 H21 P
• SMILES: P1(c2ccccc2C=Cc2ccccc12)c1c(cc(cc1C)C)C
• 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: 15.66085 ± 0.00011 Å
• b: 7.84372 ± 0.00012 Å
• c: 28.7165 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3527.52 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No