Information card for entry 4024714

Structure parameters

• Formula: C19 H24 Cl N O
• Calculated formula: C19 H24 Cl N O
• SMILES: Clc1ccc(N[C@H]2[C@H]3C(=O)C[C@@H](C42CCCCC4)CC3)cc1
• Title of publication: Asymmetric Construction of Nitrogen-Containing [2.2.2] Bicyclic Scaffolds Using N-(p-Dodecylphenylsulfonyl)-2-pyrrolidinecarboxamide
• Authors of publication: Hua Yang; Rich G. Carter
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 5151 - 5156
• a: 11.8419 ± 0.0009 Å
• b: 7.8205 ± 0.0006 Å
• c: 18.3084 ± 0.0014 Å
• α: 90°
• β: 106.677 ± 0.001°
• γ: 90°
• Cell volume: 1624.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No