Information card for entry 2240641

Structure parameters

• Common name: Benzoic acid 4-benzyloxy-6-(2-methoxyacetoxymethyl)-2-(4-methoxyphenoxy)tetrahydropyran-\ 3-yl ester; acetic acid 5-azido-3,4-bis-benzyloxy-6-methoxy -tetrahydro-pyran-2-ylmethyl ester 4-Methoxyphenyl 4-<i>O</i>-[6-<i>O</i>-acetyl-2-azido-3,4-<i>O</i>-benzyl-2-deoxy- α-<i>D</i>-glucopyranosyl]-2-<i>O </i>-benzoyl-3-<i>O</i>-benzyl-6-<i>O</i>-methoxyoacetyl-β-<i>D </i>-glucopyranoside
• Chemical name: 4-Methoxyphenyl 4-<i>O</i>-[6-<i>O</i>-acetyl-2-azido-3,4-<i>O</i>-benzyl-2-deoxy-α-<i>D</i>-glucopyranosyl]-2-<i>O</i>-benzoyl-3-<i>O</i>-benzyl-6-<i>O</i>-methoxyoacetyl-β-<i>D</i>-glucopyranoside
• Formula: C52 H55 N3 O15
• Calculated formula: C52 H55 N3 O15
• 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: 38.3346 ± 0.0013 Å
• b: 8.0744 ± 0.0003 Å
• c: 16.1659 ± 0.0006 Å
• α: 90°
• β: 91.222 ± 0.002°
• γ: 90°
• Cell volume: 5002.7 ± 0.3 ų
• Cell temperature: 118 ± 2 K
• Ambient diffraction temperature: 118 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes