Information card for entry 2240639

Structure parameters

• Chemical name: 4-Methoxyphenyl 4-<i>O</i>-[6-<i>O</i>-acetyl-2-azido-3-<i>O</i>-benzyl-2-deoxy-4-<i>O</i>-(9-fluorenylmethyloxycarbonyl)-α-<i>D</i>-glucopyranosyl]-2-<i>O</i>-benzoyl-3-<i>O</i>-benzyl-6-<i>O</i>-chloroacetyl-α-<i>L</i>-iodopyranoside
• Formula: C59 H56 Cl N3 O16
• Calculated formula: C59 H56 Cl N3 O16
• Title of publication: Crystal packing in three related disaccharides: precursors to heparan sulfate oligosaccharides
• Authors of publication: Gainsford, Graeme J.; Schwörer, Ralf; Tyler, Peter C.; Zubkova, Olga V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: 582 - 587
• a: 14.8343 ± 0.0011 Å
• b: 8.4771 ± 0.0006 Å
• c: 21.8112 ± 0.0017 Å
• α: 90°
• β: 91.78 ± 0.007°
• γ: 90°
• Cell volume: 2741.5 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1479
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.2135
• Weighted residual factors for all reflections included in the refinement: 0.28
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes