Information card for entry 4036363

Structure parameters

• Formula: C23 H24 Cl N O3
• Calculated formula: C23 H24 Cl N O3
• SMILES: Cl[C@H]1C(=O)N2[C@@H](C[C@]1(O)c1ccccc1)CCC[C@H]2CC(=O)c1ccccc1.Cl[C@@H]1C(=O)N2[C@H](C[C@@]1(O)c1ccccc1)CCC[C@@H]2CC(=O)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: 15.926 ± 0.002 Å
• b: 11.464 ± 0.001 Å
• c: 11.398 ± 0.001 Å
• α: 90°
• β: 104.242 ± 0.002°
• γ: 90°
• Cell volume: 2017 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No