Information card for entry 1517254

Structure parameters

• Formula: C22 H25 N3 O2
• Calculated formula: C22 H25 N3 O2
• SMILES: c1c2CC(CC(=O)Oc2c2c(C(C)(C)C)nn(c2n1)c1ccccc1)(C)C
• Title of publication: Divergent Chemo-, Regio-, and Diastereoselective Normal Electron-Demand Povarov-Type Reactions with α-Oxo-ketene Dienophiles.
• Authors of publication: Galvez, Jaime; Castillo, Juan-Carlos; Quiroga, Jairo; Rajzmann, Michel; Rodriguez, Jean; Coquerel, Yoann
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 16
• Pages of publication: 4126 - 4129
• a: 11.1623 ± 0.0003 Å
• b: 13.076 ± 0.0004 Å
• c: 27.158 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3963.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1473
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.2214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No