Information card for entry 1504871

Structure parameters

• Formula: C28 H20 P2
• Calculated formula: C28 H20 P2
• SMILES: P1(Cc2cccc3cccc1c23)c1ccccc1P1Cc2cccc3cccc1c23
• Title of publication: Platinum-catalyzed enantioselective tandem alkylation/arylation of primary phosphines. Asymmetric synthesis of P-stereogenic 1-phosphaacenaphthenes.
• Authors of publication: Anderson, Brian J.; Guino-o, Marites A; Glueck, David S.; Golen, James A.; DiPasquale, Antonio G.; Liable-Sands, Louise M; Rheingold, Arnold L.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 20
• Pages of publication: 4425 - 4428
• a: 8.0128 ± 0.0009 Å
• b: 21.296 ± 0.003 Å
• c: 12.4433 ± 0.0015 Å
• α: 90°
• β: 91.725 ± 0.002°
• γ: 90°
• Cell volume: 2122.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.334
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No