Information card for entry 4112553

Structure parameters

• Formula: C16 H26 Cl N O4
• Calculated formula: C16 H26 Cl N O4
• SMILES: Cl[C@H]1C[C@@H]2N([C@@H](CC[C@@H]2CC1)C(=O)OC)C(=O)OC(C)(C)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: 6.54 ± 0.003 Å
• b: 13.811 ± 0.005 Å
• c: 19.763 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1785.1 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0519
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 0.802
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No