Information card for entry 7213285

Structure parameters

• Formula: C31 H30 O4 P
• Calculated formula: C31 H30 O4 P
• Title of publication: Selective C-acylation of CH-active dicarbonyl compounds with ketenylidenetriphenylphosphorane: syntheses and structures of 3-phosphoranylideneacyltetronic acids, 3-phosphoranylideneacyl-4-oxocoumarins, and 4-phosphoranylideneacylpyrazol-5-ones
• Authors of publication: Schobert, Rainer; Siegfried, Sven; Nieuwenhuyzen, Mark; Milius, Wolfgang; Hampel, Frank
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 11
• Pages of publication: 1723
• a: 25.351 ± 0.003 Å
• b: 12.9583 ± 0.0012 Å
• c: 16.409 ± 0.002 Å
• α: 90°
• β: 103.679 ± 0.008°
• γ: 90°
• Cell volume: 5237.6 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1227
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections: 0.131
• Weighted residual factors for significantly intense reflections: 0.1073
• Goodness-of-fit parameter for all reflections: 1.029
• Goodness-of-fit parameter for significantly intense reflections: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No