Information card for entry 7151014

Structure parameters

• Formula: C36 H51 N O4
• Calculated formula: C36 H51 N O4
• SMILES: O(C(=O)[C@@](N(C)C)(C/C=C\C)c1c(ccc(c1)C(=O)OC(C)(C)C)C)[C@H]1[C@@H](CC[C@H](C1)C)C(C)(C)c1ccccc1
• Title of publication: New synthetic routes to optically active α-quaternary α-aryl amino acid derivatives via the diastereoselective Stevens and Sommelet‒Hauser rearrangements
• Authors of publication: Tayama, Eiji; Orihara, Kiwako; Kimura, Hiroshi
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 20
• Pages of publication: 3673 - 3680
• a: 9.2925 ± 0.0001 Å
• b: 12.9908 ± 0.0002 Å
• c: 28.111 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3393.48 ± 0.08 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.225
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No