Information card for entry 4021713

Structure parameters

• Formula: C19 H23 N O2
• Calculated formula: C19 H23 N O2
• SMILES: O=C1O[C@@H]2[C@H]3CC[C@@](C2=N[C@@H]1Cc1ccccc1)(C3(C)C)C
• Title of publication: Asymmetric Synthesis of α,α-Disubstituted α-Amino Acids by Diastereoselective Alkylation of Camphor-Based Tricyclic Iminolactone
• Authors of publication: Peng-Fei Xu; Shuo Li; Ta-Jung Lu; Chen-Chang Wu; Botao Fan; Georgia Golfis
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 4364 - 4373
• a: 6.9263 ± 0.0006 Å
• b: 12.6281 ± 0.001 Å
• c: 18.6474 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1631 ± 0.2 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: 0.0377
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No