Information card for entry 4036682

Structure parameters

• Formula: C13 H14 F4 O4
• Calculated formula: C13 H14 F4 O4
• SMILES: FC1(F)[C@@H](O)[C@H](O[C@H](O)C1(F)F)COCc1ccccc1
• 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: 8.4477 ± 0.0002 Å
• b: 6.0345 ± 0.0002 Å
• c: 13.8768 ± 0.0004 Å
• α: 90°
• β: 104.753 ± 0.002°
• γ: 90°
• Cell volume: 684.09 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No