Information card for entry 4118736

Structure parameters

• Formula: C21 H14 O2
• Calculated formula: C21 H14 O2
• SMILES: o1c2c(c3c1cccc3)ccc1c2c2c(cc(OC)cc2)cc1
• 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: 28.109 ± 0.004 Å
• b: 4.5304 ± 0.0006 Å
• c: 33.581 ± 0.005 Å
• α: 90°
• β: 90.356 ± 0.003°
• γ: 90°
• Cell volume: 4276.3 ± 1 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• 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: 0.0638
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No