Information card for entry 2239270

Structure parameters

• Chemical name: Methyl 6-<i>O</i>-trityl-α-D-glucopyranoside methanol disolvate
• Formula: C28 H36 O8
• Calculated formula: C28 H36 O8
• SMILES: CO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]([C@@H]([C@H]1O)O)O.CO.CO
• Title of publication: Methyl 6-<i>O</i>-trityl-α-<small>D</small>-glucopyranoside methanol disolvate
• Authors of publication: Gültekin, Zeynep; Civan, Mehmet; Frey, Wolfgang; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o492 - o493
• a: 8.6763 ± 0.0004 Å
• b: 9.1233 ± 0.0004 Å
• c: 19.1545 ± 0.0006 Å
• α: 86.328 ± 0.003°
• β: 82.578 ± 0.002°
• γ: 67.903 ± 0.002°
• Cell volume: 1392.87 ± 0.1 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes