Information card for entry 1519556

Structure parameters

• Formula: C17 H21 N O3
• Calculated formula: C17 H21 N O3
• SMILES: [C@@H]1(C(C)(C)C)N([C@H](C(=O)O1)CC=C)C(=O)c1ccccc1
• Title of publication: C17H21NO3
• Authors of publication: Wood, Mark E.; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2003
• Pages of publication: 980
• a: 5.9385 ± 0.0008 Å
• b: 13.0338 ± 0.0019 Å
• c: 10.4518 ± 0.0016 Å
• α: 90°
• β: 104.583 ± 0.006°
• γ: 90°
• Cell volume: 782.9 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1785
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No