Information card for entry 2010898

Structure parameters

• Chemical name: 1,3(R):4,6(R)-di-O-benzylidene-D-mannitol
• Formula: C20 H22 O6
• Calculated formula: C20 H22 O6
• SMILES: O[C@@H]1CO[C@H](O[C@H]1[C@@H]1O[C@@H](OC[C@H]1O)c1ccccc1)c1ccccc1
• Title of publication: 1,3(<i>R</i>):4,6(<i>R</i>)-Di-<i>O</i>-benzylidene-<small>D</small>-mannitol
• Authors of publication: Xiao, Yingxin; Voll, Ronald J.; Billodeaux, Damon R.; Fronczek, Frank R.; Younathan, Ezzat S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 582 - 583
• a: 17.472 ± 0.004 Å
• b: 4.9237 ± 0.001 Å
• c: 9.956 ± 0.002 Å
• α: 90°
• β: 94.08 ± 0.03°
• γ: 90°
• Cell volume: 854.3 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes