Information card for entry 2009808

Structure parameters

• Common name: 2,2'3,3'-tetra-O-acetyl-6,6'-dichloro-4,4',6,6'-tetradeoxy-α,α-trehalose
• Chemical name: 2,3-di-O-acetyl-6-chloro-4,6-dideoxy-α-D-glucopyranosyl 2,3-di-O-acetyl-6- chloro-4,6-dideoxy-α-D-glucopyranoside
• Formula: C20 H28 Cl2 O11
• Calculated formula: C20 H28 Cl2 O11
• SMILES: ClC[C@@H]1C[C@H](OC(=O)C)[C@H]([C@H](O1)O[C@H]1O[C@H](CCl)C[C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
• Title of publication: 2,2',3,3'-Tetra-<i>O</i>-acetyl-6,6'-dichloro-4,4',6,6'-tetradeoxy-α,α-trehalose
• Authors of publication: Lee, C. Kuan; Koh, Lip Lin; Xu, Yan; Linden, Anthony
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 915 - 919
• a: 11.201 ± 0.003 Å
• b: 40.167 ± 0.002 Å
• c: 11.099 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4993.6 ± 1.9 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1167
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.0479
• Goodness-of-fit parameter for significantly intense reflections: 2.125
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No