Information card for entry 2004632

Structure parameters

• Formula: C13 H22 O5
• Calculated formula: C13 H22 O5
• SMILES: O=C(OC)[C@@H]1CC[C@@H](O[C@@H]2OCCCC2)[C@H](O)C1.O=C(OC)[C@H]1CC[C@H](O[C@H]2OCCCC2)[C@@H](O)C1
• Title of publication: Methyl 3-(<i>RS</i>)-Hydroxy-4-[(<i>RS</i>)-3,4,5,6-tetrahydro-2<i>H</i>-2-pyranyloxy]cyclohexanecarboxylate
• Authors of publication: Bidyasagar, M.; Ravikumar, K.; Hassan, S. J.; Yadav, J. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 687 - 689
• a: 9.458 ± 0.001 Å
• b: 9.644 ± 0.001 Å
• c: 9.889 ± 0.001 Å
• α: 94.81 ± 0.02°
• β: 117.76 ± 0.02°
• γ: 114.16 ± 0.02°
• Cell volume: 684.9 ± 0.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.06
• Goodness-of-fit parameter for significantly intense reflections: 0.861
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No