Information card for entry 4084200

Structure parameters

• Formula: C24 H22 N O3 P
• Calculated formula: C24 H22 N O3 P
• SMILES: c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(C(=C([C@@H]2[P@]1(=O)c1ccccc1)C)C)C=C
• Title of publication: Modifying the Chemistry of the Phosphole Dienic System by α-Vinylation
• Authors of publication: Ng, Kim Hong; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 16
• Pages of publication: 4245
• a: 7.8173 ± 0.0017 Å
• b: 12.915 ± 0.003 Å
• c: 19.645 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1983.4 ± 0.7 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1816
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No