Information card for entry 7103860

Structure parameters

• Formula: C17 H21 N O3
• Calculated formula: C17 H21 N O3
• SMILES: O=C1OC[C@@H](N1C(=O)C[C@H](C)[C@H](C)C=C)c1ccccc1
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• a: 21.75 ± 0.02 Å
• b: 5.316 ± 0.005 Å
• c: 12.868 ± 0.013 Å
• α: 90°
• β: 91.12 ± 0.04°
• γ: 90°
• Cell volume: 1487 ± 2 ų
• Cell temperature: 137 ± 2 K
• Ambient diffraction temperature: 137 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.3102
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.2262
• Goodness-of-fit parameter for all reflections included in the refinement: 0.76
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No