Information card for entry 2018952

Structure parameters

• Common name: Benzoic acid 4-benzyloxy-6-(2-chloroacetoxymethyl)-2-(4-methoxyphenoxy)tetrahydropyran-3-yl ester; acetic acid 5-azido-4-benzyloxy-3-(9<i>H</i>-fluoren-9-ylmethoxycarbonyloxy)-6-methoxytetrahydr-pyran-2-ylmethyl ester
• 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>-(fluoren-9-ylmethoxycarbonyl)-α-<i>D</i>-glucopyranosyl]-2-<i>O</i>-benzoyl-3-<i>O</i>-benzyl-6-<i>O</i>-chloroacetyl-β-<i>D</i>-glucopyranoside
• Formula: C59 H56 Cl N3 O16
• Calculated formula: C59 H56 Cl N3 O16
• Title of publication: Translationally related nearly identical molecules: 4-methoxyphenyl 4-<i>O</i>-[6-<i>O</i>-acetyl-2-azido-3-<i>O</i>-benzyl-2-deoxy-4-<i>O</i>-(fluoren-9-ylmethoxycarbonyl)-α-<small>D</small>-glucopyranosyl]-2-<i>O</i>-benzoyl-3-<i>O</i>-benzyl-6-<i>O</i>-chloroacetyl-β-<small>D</small>-glucopyranoside
• Authors of publication: Gainsford, Graeme J.; Schwörer, Ralf; Tyler, Peter C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: 679 - 682
• a: 10.454 ± 0.002 Å
• b: 35.61 ± 0.007 Å
• c: 14.408 ± 0.003 Å
• α: 90°
• β: 95.61 ± 0.03°
• γ: 90°
• Cell volume: 5337.9 ± 1.9 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: 0.084
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes