Information card for entry 2208403

Structure parameters

• Chemical name: (2RS,3SR,5RS,6SR)-Bicyclo[2.2.1]heptane-2,3,5,6-tetryl tetraacetate
• Formula: C15 H20 O8
• Calculated formula: C15 H20 O8
• SMILES: O(C(=O)C)[C@@H]1[C@H](OC(=O)C)C2[C@H](OC(=O)C)[C@H](OC(=O)C)C1C2
• Title of publication: (2<i>RS</i>,3<i>SR</i>,5<i>RS</i>,6<i>SR</i>)-Bicyclo[2.2.1]heptane-2,3,5,6-tetryl tetraacetate
• Authors of publication: Ustabaş, Reşat; Çoruh, Ufuk; Yavuz, Metin; Salamci, Emine; Vázquez-López, Ezequiel M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o1149 - o1150
• a: 13.5589 ± 0.0015 Å
• b: 11.662 ± 0.0012 Å
• c: 10.7025 ± 0.0011 Å
• α: 90°
• β: 101.758 ± 0.002°
• γ: 90°
• Cell volume: 1656.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1895
• Residual factor for significantly intense reflections: 0.0989
• Weighted residual factors for significantly intense reflections: 0.2517
• Weighted residual factors for all reflections included in the refinement: 0.3122
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes