Information card for entry 2102568

Structure parameters

• Chemical name: 2,2',3,3',4,4'-Hexaacetato-6,6'-diazido-α,α'-trehalose ethanol solvate
• Formula: C24.7 H34.1 N6 O15.35
• Calculated formula: C24.7 H34.1 N6 O15.35
• Title of publication: Supramolecular structures of substituted α,α'-trehalose derivatives
• Authors of publication: Baddeley, Thomas C.; Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: 461 - 471
• a: 12.2281 ± 0.0004 Å
• b: 15.5803 ± 0.0006 Å
• c: 18.1066 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3449.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1312
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No