Information card for entry 4023600

Structure parameters

• Formula: C26 H36 F3 N O2
• Calculated formula: C26 H36 F3 N O2
• SMILES: C[C@@H]1CC[C@@H](C(C)C)[C@@H](C1)/C=C/C=C/[C@H](C)NC(=O)[C@@](C(F)(F)F)(c1ccccc1)OC
• Title of publication: Sterically Biased 3,3-Sigmatropic Rearrangement of Chiral Allylic Azides: Application to the Total Syntheses of Alkaloids
• Authors of publication: Sophie Lauzon; François Tremblay; David Gagnon; Cédrickx Godbout; Christine Chabot; Catherine Mercier-Shanks; Stéphane Perreault; Hélène DeSève; Claude Spino
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 6239 - 6250
• a: 7.849 ± 0.004 Å
• b: 9.768 ± 0.009 Å
• c: 17.364 ± 0.008 Å
• α: 90°
• β: 98.86 ± 0.04°
• γ: 90°
• Cell volume: 1315.4 ± 1.5 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1949
• Weighted residual factors for all reflections included in the refinement: 0.2087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 1.54176 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No