Information card for entry 1506774

Structure parameters

• Formula: C24 H33 N O4
• Calculated formula: C24 H33 N O4
• SMILES: N1[C@@H]([C@@H]([C@@H]([C@@H]([C@@H]1C)CO)COCc1ccccc1)COCc1ccccc1)CO.N1[C@H]([C@H]([C@H]([C@H]([C@H]1C)CO)COCc1ccccc1)COCc1ccccc1)CO
• Title of publication: A Diels-Alder approach to the stereoselective synthesis of 2,3,5,6-tetra- and 2,3,4,5,6-pentasubstituted piperidines.
• Authors of publication: Sales, Marcelo; Charette, André B
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 26
• Pages of publication: 5773 - 5776
• a: 10.685 ± 0.003 Å
• b: 24.806 ± 0.006 Å
• c: 8.872 ± 0.002 Å
• α: 90°
• β: 108.68 ± 0.03°
• γ: 90°
• Cell volume: 2227.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No