Information card for entry 2011471

Structure parameters

• Formula: C16 H28 O7
• Calculated formula: C16 H28 O7
• SMILES: COC(=O)[C@H]([C@@]1(C)CC[C@@H]([C@]2(C)CC[C@@](C(C)(C)O)(O2)O)O1)O.COC(=O)[C@@H]([C@]1(C)CC[C@H]([C@@]2(C)CC[C@](C(C)(C)O)(O2)O)O1)O
• Title of publication: Methyl 2-hydroxy-2-[5'-hydroxy-5'-(1-hydroxy-1-methylethyl)-5,2'-dimethylperhydro-2,2'-bifuranyl-5-yl]acetate
• Authors of publication: Light, Mark E.; Hursthouse, Michael B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: e483 - e483
• a: 7.5615 ± 0.0002 Å
• b: 11.1023 ± 0.0004 Å
• c: 20.9017 ± 0.0005 Å
• α: 90°
• β: 95.302 ± 0.002°
• γ: 90°
• Cell volume: 1747.19 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes