Information card for entry 4023356

Structure parameters

• Formula: C17 H21 N O3
• Calculated formula: C17 H21 N O3
• SMILES: C(C)(C)[C@H]1[C@]2(NC(=O)C(=C2)C)CO[C@H](O1)c1ccccc1
• 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: 8.1931 ± 0.0011 Å
• b: 9.2321 ± 0.0013 Å
• c: 19.795 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1497.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0467
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No