Information card for entry 1507111

Structure parameters

• Formula: C15 H26 F2 N2 O5
• Calculated formula: C15 H26 F2 N2 O5
• SMILES: FC1(F)[C@H](O)[C@@H](O)[C@@H]2O[C@@]1(N)[C@H](OC(=O)N(CC)CC)C(C)(C)C2.FC1(F)[C@@H](O)[C@H](O)[C@H]2O[C@]1(N)[C@@H](OC(=O)N(CC)CC)C(C)(C)C2
• Title of publication: Unexpectedly selective formation and reactions of epoxycyclooctenones under microwave-mediated conditions.
• Authors of publication: Fawcett, John; Griffith, Gerry A.; Percy, Jonathan M.; Uneyama, Emi
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 1277 - 1280
• a: 6.9296 ± 0.001 Å
• b: 10.4369 ± 0.0014 Å
• c: 12.3706 ± 0.0017 Å
• α: 104.018 ± 0.002°
• β: 103.538 ± 0.002°
• γ: 96.314 ± 0.002°
• Cell volume: 830.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No