Information card for entry 1506679

Structure parameters

• Common name: compound10
• Chemical name: compound10
• Formula: C20 H27 N O4
• Calculated formula: C20 H27 N O4
• SMILES: O([C@H]1[C@@](NC(=O)C)(C(=O)OC)CC1)[C@H]1[C@H](c2ccccc2)CCCC1
• 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: 16.4388 ± 0.0001 Å
• b: 20.273 ± 0.0016 Å
• c: 5.7205 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1906.44 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No