Information card for entry 1517253

Structure parameters

• Formula: C29 H33 N3 O2
• Calculated formula: C29 H33 N3 O2
• SMILES: c1(c2C(=O)[C@@]3([C@H](c4ccc(cc4)C)Nc2n(c2ccccc2)n1)C(=O)CC(C3)(C)C)C(C)(C)C.c1(c2C(=O)[C@]3([C@@H](c4ccc(cc4)C)Nc2n(c2ccccc2)n1)C(=O)CC(C3)(C)C)C(C)(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: 25.7585 ± 0.0006 Å
• b: 10.3249 ± 0.0002 Å
• c: 9.5675 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2544.51 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1115
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No