Information card for entry 4108528

Structure parameters

• Formula: C19 H21 N O4
• Calculated formula: C19 H21 N O4
• SMILES: N1([C@@H]([C@@H](C[C@@H]2C=CC(=O)C[C@H]12)OC(=O)C)C)C(=O)c1ccccc1.N1([C@H]([C@H](C[C@H]2C=CC(=O)C[C@@H]12)OC(=O)C)C)C(=O)c1ccccc1
• Title of publication: Total Synthesis of (+)-Lepadin B: Stereoselective Synthesis of Nonracemic Polysubstituted Hydroquinolines Using an RC-ROM Process
• Authors of publication: Guillaume Barbe; André B. Charette
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 13873 - 13875
• a: 22.501 ± 0.002 Å
• b: 6.562 ± 0.0007 Å
• c: 23.365 ± 0.002 Å
• α: 90°
• β: 100.494 ± 0.006°
• γ: 90°
• Cell volume: 3392.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No