Information card for entry 4118733

Structure parameters

• Formula: C26 H16
• Calculated formula: C26 H16
• SMILES: c12c3ccccc3c3ccccc3c1ccc1ccc3ccccc3c21
• Title of publication: Exploiting the π-Acceptor Properties of Carbene-Stabilized Phosphorus Centered Trications [L3P]3+: Applications in Pt(II) Catalysis
• Authors of publication: Javier Carreras; Mahendra Patil; Walter Thiel; Manuel Alcarazo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 16753 - 16758
• a: 10.0094 ± 0.0005 Å
• b: 8.1625 ± 0.0004 Å
• c: 20.4952 ± 0.0011 Å
• α: 90°
• β: 103.407 ± 0.002°
• γ: 90°
• Cell volume: 1628.86 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 2
• 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: 0.038
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No