Information card for entry 7111186

Structure parameters

• Formula: C15 H23 F2 N O4
• Calculated formula: C15 H23 F2 N O4
• SMILES: FC1(F)[C@H](O)C=CCC([C@@H](OC(=O)N(CC)CC)C1=O)(C)C.FC1(F)[C@@H](O)C=CCC([C@H](OC(=O)N(CC)CC)C1=O)(C)C
• Title of publication: Rapid assembly of highly-functionalised difluorinated cyclooctenones via ring-closing metathesis
• Authors of publication: Kariuki, Benson M.; Owton, W. Martin; Percy, Jonathan M.; Pintat, Stéphane; Smith, Clive A.; Spencer, Neil S.; Thomas, Andrew C.; Watson, Martin
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 3
• Pages of publication: 228
• a: 14.9117 ± 0.0012 Å
• b: 7.5944 ± 0.0006 Å
• c: 14.8779 ± 0.0011 Å
• α: 90°
• β: 100.353 ± 0.002°
• γ: 90°
• Cell volume: 1657.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections: 0.2034
• Weighted residual factors for significantly intense reflections: 0.1742
• Goodness-of-fit parameter for all reflections: 1.081
• Goodness-of-fit parameter for significantly intense reflections: 1.139
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No