Information card for entry 4070043

Structure parameters

• Formula: C10 H20 O4 Si
• Calculated formula: C10 H20 O4 Si
• SMILES: C[Si](C)(C)CC(C(=O)O)(C)C(=O)OCC
• Title of publication: Asymmetric Synthesis of the Nonproteinogenic Silicon-Containing α-Amino Acids (R)- and (S)-α-[(Trimethylsilyl)methyl]alanine
• Authors of publication: Falgner, Steffen; Burschka, Christian; Wagner, Stephan; Böhm, Andreas; Daiss, Jürgen O.; Tacke, Reinhold
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 20
• Pages of publication: 6059 - 6066
• a: 8.1244 ± 0.0014 Å
• b: 19.763 ± 0.002 Å
• c: 8.4864 ± 0.0012 Å
• α: 90°
• β: 101.244 ± 0.019°
• γ: 90°
• Cell volume: 1336.4 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No