Information card for entry 2219633

Structure parameters

• Chemical name: Phenyl 2-amino-<i>N</i>,6-<i>O</i>-dibenzyl-2,3-<i>N</i>,<i>O</i>-carbonyl-2-deoxy-1-thio-β-<i>D</i>-glucopyranoside
• Formula: C27 H27 N O5 S
• Calculated formula: C27 H27 N O5 S
• Title of publication: Phenyl 2-amino-<i>N</i>,6-<i>O</i>-dibenzyl-2,3-<i>N</i>,<i>O</i>-carbonyl-2-deoxy-1-thio-β-<small>D</small>-glucopyranoside
• Authors of publication: Manabe, Shino; Ishii, Kazuyuki; Hashizume, Daisuke; Ito, Yukishige
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1868
• a: 13.8166 ± 0.0007 Å
• b: 5.7008 ± 0.0003 Å
• c: 15.0425 ± 0.0009 Å
• α: 90°
• β: 91.494 ± 0.004°
• γ: 90°
• Cell volume: 1184.43 ± 0.11 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0779
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes