Information card for entry 4112550

Structure parameters

• Formula: C32 H42 N2 O8
• Calculated formula: C32 H42 N2 O8
• SMILES: O(C(=O)[C@H]1N([C@@H]2[C@H](C1)CC[C@@H](OCOC)C2)C(=O)[C@H](NC(=O)[C@H](OCOC)Cc1ccccc1)Cc1ccccc1)C
• Title of publication: The N-Acyloxyiminium Ion Aza-Prins Route to Octahydroindoles: Total Synthesis and Structural Confirmation of the Antithrombotic Marine Natural Product Oscillarin
• Authors of publication: Stephen Hanessian; Martin Tremblay; Jens F. W. Petersen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 6064 - 6071
• a: 10.019 ± 0.003 Å
• b: 12.966 ± 0.004 Å
• c: 23.814 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3093.6 ± 1.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections: 0.904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No