Information card for entry 7151999

Structure parameters

• Formula: C15 H19 O6 P
• Calculated formula: C15 H19 O6 P
• SMILES: P(=O)(OCC)(OCC)[C@@](O)(c1ccccc1)[C@@H]1OC(=O)C=C1.P(=O)(OCC)(OCC)[C@](O)(c1ccccc1)[C@H]1OC(=O)C=C1
• Title of publication: Highly diastereoselective vinylogous Mukaiyama aldol reaction of α-keto phosphonates with 2-(trimethylsilyloxy)furan catalyzed by Cu(OTf)(2).
• Authors of publication: Yu, Jipan; Zhao, Xiaona; Miao, Zhiwei; Chen, Ruyu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 19
• Pages of publication: 6721 - 6726
• a: 7.779 ± 0.0016 Å
• b: 8.9198 ± 0.0018 Å
• c: 12.746 ± 0.003 Å
• α: 99.79 ± 0.03°
• β: 105.99 ± 0.03°
• γ: 107.38 ± 0.03°
• Cell volume: 780.1 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No