Information card for entry 4070047

Structure parameters

• Formula: C17 H31 Cl N O2 Rh Si
• Calculated formula: C17 H31 Cl N O2 Rh Si
• SMILES: C1(=O)[C@@](C[Si](C)(C)C)(C)[NH2][Rh]2345([c]6([c]2([c]3([c]4([c]56C)C)C)C)C)(O1)Cl
• 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: 8.762 ± 0.0018 Å
• b: 11.357 ± 0.002 Å
• c: 21.307 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2120.3 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0186
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No