Information card for entry 2017979

Structure parameters

• Chemical name: 2-Propynyl 2,3,4,6-tetra-<i>O</i>-acetyl-α-D-mannopyranoside
• Formula: C17 H22 O10
• Calculated formula: C17 H22 O10
• Title of publication: 2-Propynyl 2,3,4,6-tetra-<i>O</i>-acetyl-α-<small>D</small>-mannopyranoside
• Authors of publication: Al-Mughaid, Hussein; Robertson, Katherine N.; Werner-Zwanziger, Ulrike; Lumsden, Michael D.; Cameron, T. Stanley; Grindley, T. Bruce
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o60 - o63
• a: 9.6848 ± 0.0005 Å
• b: 10.5107 ± 0.0005 Å
• c: 20.1765 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2053.8 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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 all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes