Information card for entry 4022656

Structure parameters

• Formula: C15 H18 F2 O4
• Calculated formula: C15 H18 F2 O4
• SMILES: O1[C@]2(O)C(F)(F)[C@H](OCc3ccccc3)[C@@H](O)[C@H]1CCC2.O1[C@@]2(O)C(F)(F)[C@@H](OCc3ccccc3)[C@H](O)[C@@H]1CCC2
• 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: 9.9359 ± 0.0015 Å
• b: 11.1641 ± 0.0017 Å
• c: 13.13 ± 0.002 Å
• α: 78.181 ± 0.003°
• β: 86.925 ± 0.003°
• γ: 88.75 ± 0.003°
• Cell volume: 1423.4 ± 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: 0.1002
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No