Information card for entry 7110863

Structure parameters

• Formula: C20 H20 N2 O3
• Calculated formula: C20 H20 N2 O3
• SMILES: N1(C(=O)[C@@H]2CCCN2C(=O)[C@H]1[C@@H](O)c1ccccc1)c1ccccc1
• Title of publication: Enantiopure epoxidation of electrophilic alkenes
• Authors of publication: Meth-Cohn, Otto; Chen, Yi; Williams, David J.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 6
• Pages of publication: 495
• a: 6.271 ± 0.001 Å
• b: 10.9937 ± 0.0011 Å
• c: 24.771 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1707.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1245
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections: 0.2087
• Weighted residual factors for significantly intense reflections: 0.1511
• Goodness-of-fit parameter for all reflections: 1.049
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No