Information card for entry 1506680

Structure parameters

• Common name: compound11
• Chemical name: compound11
• Formula: C33 H55 N O4
• Calculated formula: C33 H55 N O4
• SMILES: O(C(=O)[C@]1(NC(=O)C)CC[C@@H]1OCC)[C@@H]1C[C@@H](CC[C@H]1C(c1ccccc1)(C)C)C.C(CCCCCC)C
• 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: 14.9601 ± 0.001 Å
• b: 14.9602 ± 0.001 Å
• c: 12.7394 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2469.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.1616
• Residual factor for significantly intense reflections: 0.1412
• Weighted residual factors for significantly intense reflections: 0.352
• Weighted residual factors for all reflections included in the refinement: 0.3694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No