Information card for entry 7126593

Structure parameters

• Formula: C22 H24 O5 P
• Calculated formula: C22 H25 O5 P
• SMILES: c1ccccc1C[C@@H]1C(=O)OC(=C[C@@H]1P(=O)(OCC)OCC)c1ccccc1
• Title of publication: Access to enantioenriched 4-phosphorylated δ-lactones from β-phosphorylenones and enals via carbene organocatalysis.
• Authors of publication: Verma, Ram Subhawan; Khatana, Anil Kumar; Mishra, Monika; Kumar, Shailesh; Tiwari, Bhoopendra
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 52
• Pages of publication: 7155 - 7158
• a: 10.2137 ± 0.0018 Å
• b: 9.2639 ± 0.0015 Å
• c: 11.792 ± 0.002 Å
• α: 90°
• β: 110.27 ± 0.005°
• γ: 90°
• Cell volume: 1046.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No