Information card for entry 7150620

Structure parameters

• Formula: C38 H45 N3 O11
• Calculated formula: C38 H45 N3 O11
• SMILES: O1C[C@@H](N(C1(C)C)C(=O)OC(C)(C)C)[C@H]([C@H](OCc1ccccc1)[C@@H](OC(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1)CCC=C)OCc1ccccc1
• Title of publication: Convergent, stereoselective syntheses of the glycosidase inhibitors broussonetines D and M
• Authors of publication: Ribes, Celia; Falomir, Eva; Murga, Juan; Carda, Miguel; Alberto Marco, J.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 1355 - 1360
• a: 8.3976 ± 0.0011 Å
• b: 22.631 ± 0.003 Å
• c: 10.234 ± 0.0014 Å
• α: 90°
• β: 102.952 ± 0.004°
• γ: 90°
• Cell volume: 1895.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.2248
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No