Information card for entry 2228508

Structure parameters

• Chemical name: (2<i>R</i>,3<i>R</i>,4a<i>S</i>,6<i>S</i>,7<i>S</i>,8a<i>S</i>)-4a-Fluoro- 8a-hydroxyperhydronaphthalene-2,3,6,7-tetrayl tetraacetate
• Formula: C18 H25 F O9
• Calculated formula: C18 H25 F O9
• SMILES: CC(=O)O[C@@H]1C[C@@]2(F)C[C@H](OC(=O)C)[C@H](C[C@@]2(C[C@H]1OC(=O)C)O)OC(=O)C
• Title of publication: (2<i>R</i>,3<i>R</i>,4a<i>S</i>,6<i>S</i>,7<i>S</i>,8a<i>S</i>)-4a-Fluoro-8a-hydroxyperhydronaphthalene-2,3,6,7-tetrayl tetraacetate
• Authors of publication: Mehta, Goverdhan; Sen, Saikat
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3095
• a: 21.144 ± 0.003 Å
• b: 5.6497 ± 0.0007 Å
• c: 16.898 ± 0.002 Å
• α: 90°
• β: 104.29 ± 0.006°
• γ: 90°
• Cell volume: 1956.1 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes