Information card for entry 2241090

Structure parameters

• Common name: β-<i>D,L</i>-fructose
• Chemical name: 1,3,4,5,6-Pentahydroxyhexan-2-one
• Formula: C6 H12 O6
• Calculated formula: C6 H12 O6
• SMILES: OC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O.OC[C@]1(O)OC[C@H](O)[C@H](O)[C@H]1O
• Title of publication: Crystal structure of β-<small>D</small>,<small>L</small>-fructose
• Authors of publication: Ishii, Tomohiko; Senoo, Tatsuya; Yoshihara, Akihide; Fukada, Kazuhiro; Sakane, Genta
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: o719 - o720
• a: 5.43124 ± 0.00019 Å
• b: 7.2727 ± 0.0003 Å
• c: 10.1342 ± 0.0004 Å
• α: 69.12 ± 0.002°
• β: 83.907 ± 0.002°
• γ: 78.381 ± 0.002°
• Cell volume: 366.09 ± 0.03 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0404
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes