Information card for entry 1506677

Structure parameters

• Common name: cyclohexil
• Chemical name: cyclohexil
• Formula: C14 H23 N O4
• Calculated formula: C14 H23 N O4
• SMILES: O(C1CCCCC1)[C@@H]1[C@](NC(=O)C)(C(=O)OC)CC1.O(C1CCCCC1)[C@H]1[C@@](NC(=O)C)(C(=O)OC)CC1
• Title of publication: Selective Michael-aldol reaction by use of sterically hindered aluminum aryloxides as Lewis acids: an easy approach to cyclobutane amino acids.
• Authors of publication: Avenoza, Alberto; Busto, Jesús H; Canal, Noelia; Peregrina, Jesús M; Pérez-Fernández, Marta
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 16
• Pages of publication: 3597 - 3600
• a: 9.4901 ± 0.001 Å
• b: 17.1409 ± 0.0003 Å
• c: 9.9187 ± 0.0002 Å
• α: 90°
• β: 115.528 ± 0.001°
• γ: 90°
• Cell volume: 1455.95 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0504
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No