Information card for entry 4029596

Structure parameters

• Common name: RO_3-061
• Formula: C31 H47 N O4 Si
• Calculated formula: C31 H47 N O4 Si
• SMILES: [Si](OC[C@@H](N(Cc1ccccc1)Cc1ccccc1)[C@@H](OC(=O)CCC(=O)C)C(C)C)(C)(C)C(C)(C)C
• Title of publication: Amino acid motifs in natural products: synthesis of O-acylated derivatives of (2S,3S)-3-hydroxyleucine.
• Authors of publication: Ries, Oliver; Büschleb, Martin; Granitzka, Markus; Stalke, Dietmar; Ducho, Christian
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2014
• Journal volume: 10
• Pages of publication: 1135 - 1142
• a: 11.7538 ± 0.0017 Å
• b: 11.8065 ± 0.0017 Å
• c: 22.371 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3104.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0292
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No