Information card for entry 7151608

Structure parameters

• Formula: C27 H36 F N O4 Si
• Calculated formula: C27 H36 F N O4 Si
• SMILES: [Si](OC[C@H]1N(C(=O)C[C@@H]1CF)C(=O)OC(C)(C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of (2S,3S)-3'-fluoroisoleucine.
• Authors of publication: Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 5
• Pages of publication: 797 - 802
• a: 9.811 ± 0.007 Å
• b: 13.067 ± 0.006 Å
• c: 11.121 ± 0.005 Å
• α: 90°
• β: 104.99 ± 0.04°
• γ: 90°
• Cell volume: 1377.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections: 0.1749
• Weighted residual factors for significantly intense reflections: 0.1634
• Goodness-of-fit parameter for all reflections: 1.061
• Goodness-of-fit parameter for significantly intense reflections: 1.083
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No