Information card for entry 4036687

Structure parameters

• Formula: C7 H10 F4 O4
• Calculated formula: C7 H10 F4 O4
• SMILES: FC1(F)[C@@H](O)[C@@H](OC)O[C@H](C1(F)F)CO.FC1(F)[C@H](O)[C@H](OC)O[C@@H](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: 6.818 ± 0.002 Å
• b: 8.012 ± 0.002 Å
• c: 16.976 ± 0.006 Å
• α: 90°
• β: 90.728 ± 0.005°
• γ: 90°
• Cell volume: 927.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No