Information card for entry 1514581

Structure parameters

• Formula: C28 H27 N3 O3
• Calculated formula: C28 H27 N3 O3
• SMILES: C(c1ccccc1)[C@](/C=C\C#N)(C(=O)N[C@H](c1ccccc1)C)NC(=O)c1ccc(cc1)OC
• Title of publication: Highly stereoselective Michael addition of azlactones to electron-deficient triple bonds under P-spiro chiral iminophosphorane catalysis: importance of protonation pathway
• Authors of publication: Uraguchi, Daisuke; Ueki, Yusuke; Sugiyama, Atsushi; Ooi, Takashi
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 1308
• a: 9.552 ± 0.005 Å
• b: 10.569 ± 0.006 Å
• c: 13.458 ± 0.007 Å
• α: 71.185 ± 0.011°
• β: 76.497 ± 0.011°
• γ: 77.422 ± 0.011°
• Cell volume: 1235.4 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1279
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No