Information card for entry 7151613

Structure parameters

• Formula: C27 H34 D3 N O4 Si
• Calculated formula: C27 H37 N O4 Si
• SMILES: [Si](OC[C@H]1N(C(=O)C[C@@H]1C)C(=O)OC(C)(C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of (2S,3R)-[3',3',3'-2H3]-valine and (2S,3S)-4-fluorovaline.
• Authors of publication: Charrier, Jean-Damien; Hitchcock, Peter B.; Young, Douglas W.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 9
• Pages of publication: 1310 - 1314
• a: 9.767 ± 0.005 Å
• b: 13.052 ± 0.004 Å
• c: 11.178 ± 0.004 Å
• α: 90°
• β: 105.26 ± 0.03°
• γ: 90°
• Cell volume: 1374.7 ± 1 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: 0.0595
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections: 0.1277
• Weighted residual factors for significantly intense reflections: 0.1173
• Goodness-of-fit parameter for all reflections: 1.047
• Goodness-of-fit parameter for significantly intense reflections: 1.058
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No