Information card for entry 4115082

Structure parameters

• Formula: C16 H27 N O2
• Calculated formula: C16 H27 N O2
• SMILES: C1(=O)N2C[C@H](CC[C@@H]2[C@H]([C@@H]2C[C@@H]([C@H]([C@H]12)C)CO)C)C
• Title of publication: Asymmetric Total Synthesis of Dendrobatid Alkaloid 251F
• Authors of publication: Aaron Wrobleski; Kiran Sahasrabudhe; Jeffrey Aubé
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 9974 - 9975
• a: 7.6096 ± 0.0006 Å
• b: 8.7046 ± 0.0007 Å
• c: 21.8164 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1445.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0466
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No