Information card for entry 4122611

Structure parameters

• Formula: C16 H26 Br N O
• Calculated formula: C16 H26 Br N O
• SMILES: [Br-].C1CC[C@]23[C@@H](C[C@@H]4C[C@H](C[C@]52[C@@H]4C[C@@H]3C[NH+]15)C)O
• Title of publication: A unified strategy for the synthesis of 7-membered-ring-containing Lycopodium alkaloids.
• Authors of publication: Lee, Amy S.; Liau, Brian B.; Shair, Matthew D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 38
• Pages of publication: 13442 - 13452
• a: 9.1763 ± 0.0003 Å
• b: 9.5392 ± 0.0003 Å
• c: 17.2775 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1512.38 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0159
• Residual factor for significantly intense reflections: 0.0159
• Weighted residual factors for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.0428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No