Information card for entry 4036692

Structure parameters

• Formula: C17 H16 F4 O4
• Calculated formula: C17 H16 F4 O4
• SMILES: FC1(F)[C@H](O[C@@H](OCc2ccc3ccccc3c2)[C@@H](O)C1(F)F)CO
• Title of publication: Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.
• Authors of publication: Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 11
• Pages of publication: 4434 - 4453
• a: 8.03533 ± 0.00015 Å
• b: 9.59356 ± 0.00019 Å
• c: 41.5946 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3206.42 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No