Information card for entry 4118561

Structure parameters

• Formula: C28 H20 N P
• Calculated formula: C28 H20 N P
• SMILES: N1(P2C3c4ccccc4C2c2ccccc32)C2c3ccccc3C1c1ccccc21
• Title of publication: Facile Synthesis of Dibenzo-7λ3-phosphanorbornadiene Derivatives Using Magnesium Anthracene
• Authors of publication: Alexandra Velian; Christopher C. Cummins
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 13978 - 13981
• a: 8.6294 ± 0.0002 Å
• b: 18.2879 ± 0.0005 Å
• c: 25.7845 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4069.14 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No