Information card for entry 7027453

Structure parameters

• Formula: C29 H23 N2 O P
• Calculated formula: C29 H23 N2 O P
• SMILES: P(c1cc2C=CC(=O)/C(=N\Nc3ccc(cc3)C)c2cc1)(c1ccccc1)c1ccccc1
• Title of publication: Azo-containing tertiary phosphines: synthesis, reactivity and structural characterisation
• Authors of publication: Alder, Mark J.; Cross, Wendy I.; Flower, Kevin R.; Pritchard, Robin G.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 15
• Pages of publication: 2563
• a: 8.077 ± 0.001 Å
• b: 22.366 ± 0.003 Å
• c: 25.317 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4573.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• 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: 0.2136
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No