Information card for entry 4026104

Structure parameters

• Formula: C17 H25 N O2
• Calculated formula: C17 H25 N O2
• SMILES: O1[C@]2(C[C@@H]3C([C@@H]3CC2=N[C@@](C1=O)(C)CC(=C)C)(C)C)C
• Title of publication: Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone
• Authors of publication: Ta-Jung Lu; Cheng-Kun Lin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 1621 - 1633
• a: 8.0663 ± 0.0001 Å
• b: 10.2743 ± 0.0001 Å
• c: 20.2326 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1676.79 ± 0.03 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0424
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No