Information card for entry 2201808

Structure parameters

• Formula: C14 H22 O6
• Calculated formula: C14 H22 O6
• SMILES: C1(=O)CC[C@](C)([C@H]2CC[C@@](C)([C@@H](C(=O)OCC)O)O2)O1.C1(=O)CC[C@@](C)([C@@H]2CC[C@](C)([C@H](C(=O)OCC)O)O2)O1
• Title of publication: Ethyl (2<i>S</i>*)-2-[(2<i>R</i>*,2'<i>R</i>*,5<i>S</i>*)-2',5-dimethyl-5'-oxoperhydro-[2,2']]bifuranyl-5-yl]-2-hydroxyethanoate
• Authors of publication: Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: o501 - o502
• a: 9.3133 ± 0.0003 Å
• b: 15.4441 ± 0.0004 Å
• c: 9.8424 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1415.69 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes