Information card for entry 2013642

Structure parameters

• Chemical name: D-mannitol
• Formula: C6 H14 O6
• Calculated formula: C6 H14 O6
• SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
• Title of publication: Three polymorphs (α, β, and δ) of <small>D</small>-mannitol at 100K
• Authors of publication: Fronczek, Frank R.; Kamel, Haidy Nasr; Slattery, Marc
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o567 - o570
• a: 4.899 ± 0.002 Å
• b: 18.268 ± 0.006 Å
• c: 5.043 ± 0.002 Å
• α: 90°
• β: 118.39 ± 0.02°
• γ: 90°
• Cell volume: 397 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes