Information card for entry 2201055

Structure parameters

• Common name: α,α-trehalose ditrityl hexaacetate
• Chemical name: 2,3,4-tri-O-acetyl-6-O-trityl-1-O-(2,3,4-tri-O-acetyl-6-O-tritylα-D- glucopyranosyl)-α-D-glucopyranose
• Formula: C62 H62 O17
• Calculated formula: C62 H62 O17
• Title of publication: Ditrityl α,α-trehalose hexaacetate
• Authors of publication: Baddeley, Thomas C.; Clow, Simon M.; Cox, Philip J.; Davidson, Iain G.; Howie, R. Alan; Wardell, James L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: o476 - o477
• a: 15.0595 ± 0.0004 Å
• b: 17.1977 ± 0.0006 Å
• c: 10.8465 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2809.12 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes