Information card for entry 2224451

Structure parameters

• Chemical name: 2,3-<i>O</i>-Isopropylidene-3-<i>C</i>-phenylerythrofuranose
• Formula: C13 H16 O4
• Calculated formula: C13 H16 O4
• SMILES: O1[C@@H](O)[C@@H]2OC(O[C@@]2(C1)c1ccccc1)(C)C.O1[C@H](O)[C@H]2OC(O[C@]2(C1)c1ccccc1)(C)C
• Title of publication: 2,3-<i>O</i>-Isopropylidene-3-<i>C</i>-phenylerythrofuranose
• 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: o3129
• a: 5.716 ± 0.002 Å
• b: 9.201 ± 0.004 Å
• c: 11.871 ± 0.006 Å
• α: 89.76 ± 0.03°
• β: 78.72 ± 0.02°
• γ: 73.7 ± 0.02°
• Cell volume: 586.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes