Information card for entry 4022657

Structure parameters

• Formula: C18 H22 F2 O5
• Calculated formula: C18 H22 F2 O5
• SMILES: FC1(F)[C@]2(O[C@@H]([C@H](OC(=O)C)[C@H]1OCc1ccccc1)CCC2)OC.FC1(F)[C@@]2(O[C@H]([C@@H](OC(=O)C)[C@@H]1OCc1ccccc1)CCC2)OC
• Title of publication: Total Syntheses of Conformationally Locked Difluorinated Pentopyranose Analogues and a Pentopyranosyl Phosphate Mimetic
• Authors of publication: Jonathan A. L. Miles; Lisa Mitchell; Jonathan M. Percy; Kuldip Singh; E. Uneyama
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 1575 - 1587
• a: 7.24 ± 0.002 Å
• b: 9.607 ± 0.003 Å
• c: 13.226 ± 0.004 Å
• α: 98.732 ± 0.005°
• β: 102.59 ± 0.005°
• γ: 100.713 ± 0.005°
• Cell volume: 864.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No