Information card for entry 1512393

Structure parameters

• Formula: C22 H22 N2 O4
• Calculated formula: C22 H22 N2 O4
• SMILES: [C@@H]1(N(C(=O)C[C@]1(C(=O)OC)C#N)[C@@H]([C@@H](O)c1ccccc1)C)c1ccccc1
• Title of publication: Stereoselective Synthesis of γ-Lactams from Imines and Cyanosuccinic Anhydrides.
• Authors of publication: Tan, Darlene Q.; Younai, Ashkaan; Pattawong, Ommidala; Fettinger, James C.; Cheong, Paul Ha-Yeon; Shaw, Jared T.
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 19
• Pages of publication: 5126 - 5129
• a: 8.0023 ± 0.0008 Å
• b: 8.5569 ± 0.0007 Å
• c: 27.385 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1875.2 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0258
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No