Information card for entry 4023931

Structure parameters

• Formula: C34 H44 N2 O3
• Calculated formula: C34 H44 N2 O3
• SMILES: OC[C@H](N1[C@@H](CCC1)CC(OCc1ccccc1)C[C@H]1N(CCC1)[C@@H](CO)c1ccccc1)c1ccccc1
• Title of publication: Concise Total Synthesis of (-)-Deoxocuscohygrine and (-)-Dihydrocuscohygrine
• Authors of publication: Takayasu Yamauchi; Sachi Hagiwara; Kimio Higashiyama
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 9784 - 9787
• a: 16.481 ± 0.004 Å
• b: 7.997 ± 0.003 Å
• c: 11.861 ± 0.003 Å
• α: 90°
• β: 105.21 ± 0.02°
• γ: 90°
• Cell volume: 1508.6 ± 0.7 ų
• Cell temperature: 298.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 4.547
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No