Information card for entry 4101989

Structure parameters

• Formula: C26 H26 N2 O3
• Calculated formula: C26 H26 N2 O3
• SMILES: O1[C@]23N4CC[C@@]52c2ccccc2N([C@@H]5C(=O)C[C@]3(CCC4=O)CC1)Cc1ccccc1.O1[C@@]23N4CC[C@]52c2ccccc2N([C@H]5C(=O)C[C@@]3(CCC4=O)CC1)Cc1ccccc1
• Title of publication: Total Synthesis of (+)-Fendleridine (Aspidoalbidine) and (+)-1-Acetylaspidoalbidine
• Authors of publication: Erica L. Campbell; Andrea M. Zuhl; Christopher M. Liu; Dale L. Boger
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 3009 - 3012
• a: 7.7377 ± 0.0015 Å
• b: 23.547 ± 0.005 Å
• c: 11.699 ± 0.002 Å
• α: 90°
• β: 102.15 ± 0.03°
• γ: 90°
• Cell volume: 2083.8 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1441
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No