Information card for entry 2006313

Structure parameters

• Chemical name: Methyl 2-aza-2-deoxy-4,6-di-O-methyl-2-N-(p-nitrophenylamino)-β-D-erythro- hexopyranosid-3-ulose.
• Formula: C14 H19 N3 O7
• Calculated formula: C14 H19 N3 O7
• Title of publication: Methyl 2-Aza-2-deoxy-4,6-di-<i>O</i>-methyl-2-<i>N</i>-(<i>p</i>-nitrophenylamino)-β-<small>D</small>-<i>erythro</i>-hexopyranosid-3-ulose
• Authors of publication: Bernardinelli, Gérald; Tronchet, Jeannine F.; Tronchet, Jean M.J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 950 - 951
• a: 21.574 ± 0.001 Å
• b: 4.5576 ± 0.0009 Å
• c: 17.039 ± 0.002 Å
• α: 90°
• β: 104.238 ± 0.005°
• γ: 90°
• Cell volume: 1623.9 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.12
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for all reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.074
• Goodness-of-fit parameter for all reflections: 2.172
• Goodness-of-fit parameter for significantly intense reflections: 2.342
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No