Information card for entry 4036684

Structure parameters

• Formula: C6 H8 F4 O4
• Calculated formula: C6 H8 F4 O4
• SMILES: [C@@H]1([C@@H](C(C([C@@H](CO)O1)(F)F)(F)F)O)O.[C@H]1([C@H](C(C([C@H](CO)O1)(F)F)(F)F)O)O
• 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: 11.179 ± 0.005 Å
• b: 9.212 ± 0.004 Å
• c: 7.815 ± 0.004 Å
• α: 90°
• β: 95.815 ± 0.009°
• γ: 90°
• Cell volume: 800.7 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No