Information card for entry 4036362

Structure parameters

• Formula: C23 H25 N O3
• Calculated formula: C23 H25 N O3
• SMILES: O[C@@]1(CC(=O)N2[C@H](CCC[C@H]2C1)CC(=O)c1ccccc1)c1ccccc1.O[C@]1(CC(=O)N2[C@@H](CCC[C@@H]2C1)CC(=O)c1ccccc1)c1ccccc1
• Title of publication: Two-Component Domino Reactions Initiated from Ketenes: Serendipitous Synthesis of Quinolizidinones Analogous to Chelated Lobeline's Conformation.
• Authors of publication: Drège, Emmanuelle; Venot, Pierre-Etienne; Le Bideau, Franck; Retailleau, Pascal; Joseph, Delphine
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 20
• Pages of publication: 10119 - 10126
• a: 14.4873 ± 0.0003 Å
• b: 8.7725 ± 0.0002 Å
• c: 15.6803 ± 0.0011 Å
• α: 90°
• β: 107.542 ± 0.008°
• γ: 90°
• Cell volume: 1900.13 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No