Information card for entry 4116826

Structure parameters

• Formula: C20 H14 F6 O5
• Calculated formula: C20 H14 F6 O5
• SMILES: O1[C@@H](OC(=O)c2ccccc2)C(F)(F)C(F)(F)C(F)(F)[C@H]1COC(=O)c1ccccc1.O1[C@H](OC(=O)c2ccccc2)C(F)(F)C(F)(F)C(F)(F)[C@@H]1COC(=O)c1ccccc1
• Title of publication: Structure and Transport Properties of a Novel, Heavily Fluorinated Carbohydrate Analogue
• Authors of publication: Hong Woo Kim; Paolo Rossi; Richard K. Shoemaker; Stephen G. DiMagno
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 9082 - 9083
• a: 13.625 ± 0.003 Å
• b: 20.648 ± 0.004 Å
• c: 13.939 ± 0.003 Å
• α: 90°
• β: 92.33 ± 0.03°
• γ: 90°
• Cell volume: 3918.2 ± 1.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.5608 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No