Information card for entry 2230960

Structure parameters

• Chemical name: 2,6-Anhydro-1,3-di-<i>O</i>-benzyl-D-mannitol
• Formula: C20 H24 O5
• Calculated formula: C20 H24 O5
• SMILES: O(C[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1OCc1ccccc1)Cc1ccccc1
• Title of publication: 2,6-Anhydro-1,3-di-<i>O</i>-benzyl-<small>D</small>-mannitol
• Authors of publication: de Siqueira, Edmilson Clarindo; Doboszewski, Bogdan; McGarrah, James; Nazarenko, Alexander Y.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1653 - o1654
• a: 5.6584 ± 0.001 Å
• b: 7.961 ± 0.0012 Å
• c: 19.808 ± 0.004 Å
• α: 90°
• β: 91.968 ± 0.006°
• γ: 90°
• Cell volume: 891.8 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0418
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes