Information card for entry 1552339

Structure parameters

• Formula: C15 H21 N O4
• Calculated formula: C15 H21 N O4
• SMILES: O(C(=O)N[C@H](c1ccccc1)C(=O)OCC)C(C)(C)C
• Title of publication: Enantioselective carbene insertion into N‒H bond of benzophenone imine
• Authors of publication: Yang, Jian; Ruan, Peiran; Yang, Wei; Feng, Xiaoming; Liu, Xiaohua
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 5.3689 ± 0.0003 Å
• b: 10.4011 ± 0.0006 Å
• c: 27.498 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1535.56 ± 0.15 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0352
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No