Information card for entry 2209360

Structure parameters

• Chemical name: Cyclooctane-1,2,5,6-tetrayl tetraacetate
• Formula: C16 H24 O8
• Calculated formula: C16 H24 O8
• SMILES: O([C@H]1[C@@H](OC(=O)C)CC[C@@H](OC(=O)C)[C@@H](OC(=O)C)CC1)C(=O)C
• Title of publication: Cyclooctane-1,2,5,6-tetrayl tetraacetate
• Authors of publication: Salamci, Emine; Ustabaş, Reşat; Çoruh, Ufuk; Yavuz, Metin; Vázquez-López, Ezequiel M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2401 - o2402
• a: 11.8989 ± 0.0012 Å
• b: 7.7568 ± 0.0008 Å
• c: 20.08 ± 0.002 Å
• α: 90°
• β: 93.567 ± 0.002°
• γ: 90°
• Cell volume: 1849.7 ± 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: 0.168
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 0.841
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes