Information card for entry 2209396

Structure parameters

• Chemical name: N-[3-(3-Nitrobenzoylamino)benzoyl]-1,4-dideoxy-2,3-O-isopropylidene- 1,4-imino-D-talitol
• Formula: C26 H29 N3 O8
• Calculated formula: C26 H29 N3 O8
• SMILES: N1(C[C@H]2OC(O[C@H]2[C@@H]1[C@@H]1OC(OC1)(C)C)(C)C)C(=O)c1cc(NC(=O)c2cc(N(=O)=O)ccc2)ccc1
• Title of publication: 1,4-Dideoxy-2,3-<i>O</i>-isopropylidene-<i>N</i>-[3-(3-nitrobenzoylamino)benzoyl]-1,4-imino-<small>D</small>-talitol
• Authors of publication: Chu-Yi Yu; Ying Fu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o3113 - o3114
• a: 12.5459 ± 0.0013 Å
• b: 14.5417 ± 0.0014 Å
• c: 14.6939 ± 0.0015 Å
• α: 90°
• β: 101.563 ± 0.004°
• γ: 90°
• Cell volume: 2626.3 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes