Information card for entry 2224283

Structure parameters

• Chemical name: 2-<i>C</i>-Cyclohexyl-2,3-<i>O</i>-isopropylideneerythrofuranose
• Formula: C13 H22 O4
• Calculated formula: C13 H22 O4
• SMILES: O1C(O[C@@H]2[C@]1([C@H](OC2)O)C1CCCCC1)(C)C.O1C(O[C@H]2[C@@]1([C@@H](OC2)O)C1CCCCC1)(C)C
• Title of publication: 2-<i>C</i>-Cyclohexyl-2,3-<i>O</i>-isopropylideneerythrofuranose
• Authors of publication: Robinson, Tony V.; Taylor, Dennis K.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3124
• a: 5.454 ± 0.003 Å
• b: 9.908 ± 0.003 Å
• c: 12.442 ± 0.005 Å
• α: 93.29 ± 0.03°
• β: 94.95 ± 0.04°
• γ: 102.94 ± 0.03°
• Cell volume: 650.8 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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 all reflections: 0.048
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes