Information card for entry 7104518

Structure parameters

• Formula: C28 H33 N O3
• Calculated formula: C28 H33 N O3
• SMILES: O1[C@H]2N([C@@H]3[C@H]1Cc1c3c(C(C)C)ccc1)[C@H](c1ccccc1)C=C([C@@H]2CC)C(=O)OCC.O1[C@@H]2N([C@H]3[C@@H]1Cc1c3c(C(C)C)ccc1)[C@@H](c1ccccc1)C=C([C@H]2CC)C(=O)OCC
• Title of publication: Efficient synthesis of 2,4,5-trisubstituted 2,5-chiral tetrahydropyridines using a one-pot asymmetric azaelectrocyclization protocol.
• Authors of publication: Kobayashi, Toyoharu; Takeuchi, Kenichi; Miwa, Junichi; Tsuchikawa, Hiroshi; Katsumura, Shigeo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 23
• Pages of publication: 3363 - 3365
• a: 16.271 ± 0.0003 Å
• b: 8.83139 ± 0.00016 Å
• c: 17.4864 ± 0.0003 Å
• α: 90°
• β: 102.986 ± 0.0008°
• γ: 90°
• Cell volume: 2448.45 ± 0.08 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No