Information card for entry 2011290

Structure parameters

• Chemical name: Methyl 2-N-Benzylamino -2,3-dideoxy -4,6-O-(phenyl methylene)- 3-C-phenylsulfonyl b\-D-glucopyranoside
• Formula: C27 H29 N O6 S
• Calculated formula: C27 H29 N O6 S
• SMILES: S(=O)(=O)([C@@H]1[C@H]([C@@H](O[C@H]2[C@H]1O[C@@H](OC2)c1ccccc1)OC)NCc1ccccc1)c1ccccc1
• Title of publication: Comparison of the two anomers of methyl 2-(<i>N</i>-benzylamino)-2,3-dideoxy-4,6-<i>O</i>-phenylmethylene-3-<i>C</i>-phenylsulfonyl-<small>D</small>-glucopyranoside
• Authors of publication: Suresh, Cheravakkattu G.; Ravindran, Bindu; Rao, K. Narasimha; Pathak, Tanmaya
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 1030 - 1032
• a: 8.319 ± 0.001 Å
• b: 13.197 ± 0.002 Å
• c: 5.75 ± 0.002 Å
• α: 100.84 ± 0.02°
• β: 98.61 ± 0.02°
• γ: 89.43 ± 0.01°
• Cell volume: 612.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections: 0.2029
• Weighted residual factors for all reflections included in the refinement: 0.2025
• Goodness-of-fit parameter for all reflections: 1.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No