Information card for entry 1514582

Structure parameters

• Formula: C28 H28 N2 O4
• Calculated formula: C28 H28 N2 O4
• SMILES: [C@](C(=O)N[C@H](C)c1ccccc1)(Cc1ccccc1)(/C=C/C(=O)OC)NC(=O)c1ccccc1
• 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: 11.118 ± 0.003 Å
• b: 16.129 ± 0.005 Å
• c: 26.837 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4812 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1417
• Residual factor for significantly intense reflections: 0.0911
• Weighted residual factors for significantly intense reflections: 0.1854
• Weighted residual factors for all reflections included in the refinement: 0.2129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No