Information card for entry 2004534

Structure parameters

• Formula: C52 H50 O10
• Calculated formula: C52 H50 O10
• SMILES: CC(=O)O[C@@H]([C@@H]([C@H](OC(=O)C)COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)C)[C@H](OC(=O)C)COC(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: 2,3,4,5-Tetra-<i>O</i>-acetyl-1,6-di-<i>O</i>-(triphenylmethyl)-<small>D</small>-mannitol
• Authors of publication: Shalaby, M. A.; Fronczek, F. R.; Voll, R. J.; Watkins, S. F.; Younathan, E. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 381 - 383
• a: 14.542 ± 0.002 Å
• b: 16.565 ± 0.0002 Å
• c: 19.334 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4657.3 ± 0.8 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.046
• Goodness-of-fit parameter for significantly intense reflections: 2.273
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No