Information card for entry 4070048

Structure parameters

• Formula: C12 H24 O4 Si
• Calculated formula: C12 H24 O4 Si
• SMILES: [Si](C[C@](C(=O)OC(C)(C)C)(C(=O)O)C)(C)(C)C
• 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: 6.6007 ± 0.0003 Å
• b: 10.4204 ± 0.0005 Å
• c: 11.2738 ± 0.0005 Å
• α: 90°
• β: 100.312 ± 0.003°
• γ: 90°
• Cell volume: 762.91 ± 0.06 ų
• Cell temperature: 97 ± 2 K
• Ambient diffraction temperature: 97 ± 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: 0.0373
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No