Information card for entry 2200283

Structure parameters

• Formula: C25 H37 N O7
• Calculated formula: C25 H37 N O7
• SMILES: CC(OC(=O)[C@@H](N[C@H](c1ccccc1)C)C[C@H]1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C)C
• Title of publication: Isopropyl 6,7-dideoxy-1,2:3,4-di-<i>O</i>-isopropylidene-7-{[(<i>S</i>)-1-phenylethyl]amino}-<small>L</small>-<i>glycero</i>-α-<small>D</small>-<i>galacto</i>-octopyranuronate
• Authors of publication: Coutrot, Frédéric; Grison, Claude; Coutrot, Philippe; Toupet, Loic
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: o519 - o520
• a: 9.809 ± 0.001 Å
• b: 13.978 ± 0.005 Å
• c: 18.73 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2568.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1313
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes