Information card for entry 4023354

Structure parameters

• Formula: C17 H22 Br N O2
• Calculated formula: C17 H22 Br N O2
• SMILES: Br/C=C(/C=N/[C@H]1[C@@H](O[C@@H](OC1)c1ccccc1)C(C)C)\C
• Title of publication: Enantioselective Total Syntheses of Omuralide, 7-epi-Omuralide, and (+)-Lactacystin
• Authors of publication: Christopher J. Hayes; Alexandra E. Sherlock; Martin P. Green; Claire Wilson; Alexander J. Blake; Matthew D. Selby; Jeremy C. Prodger
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 2041 - 2051
• a: 11.947 ± 0.002 Å
• b: 5.9259 ± 0.0008 Å
• c: 12.668 ± 0.002 Å
• α: 90°
• β: 106.117 ± 0.002°
• γ: 90°
• Cell volume: 861.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0555
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No