Information card for entry 1505588

Structure parameters

• Formula: C19 H31 N O3
• Calculated formula: C19 H31 N O3
• SMILES: [O-]C(=O)[C@@](O)([C@H](CCCC)/C=C/C)C.[NH3+][C@H](c1ccccc1)C
• Title of publication: Synthesis of tertiary alpha-hydroxy acids by silylene transfer to alpha-keto esters.
• Authors of publication: Howard, Brett E.; Woerpel, K. A.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 22
• Pages of publication: 4651 - 4653
• a: 17.558 ± 0.003 Å
• b: 5.4049 ± 0.0009 Å
• c: 20.711 ± 0.003 Å
• α: 90°
• β: 92.475 ± 0.003°
• γ: 90°
• Cell volume: 1963.6 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0945
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No