Information card for entry 7150338

Structure parameters

• Formula: C10 H10 F2 O6
• Calculated formula: C10 H10 F2 O6
• SMILES: FC1(F)[C@@]2(OC(=O)O[C@@H]2C=C[C@H]1O)C(=O)OCC.FC1(F)[C@]2(OC(=O)O[C@H]2C=C[C@@H]1O)C(=O)OCC
• Title of publication: Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile.
• Authors of publication: Arany, Andrea; Crowley, Patrick J.; Fawcett, John; Hursthouse, Michael B.; Kariuki, Benson M.; Light, Mark E.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 4
• Pages of publication: 455 - 465
• a: 7.3657 ± 0.0007 Å
• b: 7.5078 ± 0.0007 Å
• c: 10.1384 ± 0.0009 Å
• α: 77.063 ± 0.002°
• β: 78.383 ± 0.002°
• γ: 89.452 ± 0.002°
• Cell volume: 534.86 ± 0.09 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: 0.0354
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No