Information card for entry 7154555

Structure parameters

• Formula: C43 H38 N O15
• Calculated formula: C43 H38 N4 O15
• SMILES: O([C@@H]1[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OC(=O)c2cc(cc(N(=O)=O)c2)N(=O)=O)CC1)C(=O)c1cc(cc(N(=O)=O)c1)N(=O)=O
• Title of publication: Synthesis and evaluation of galacto-noeurostegine and its 2-deoxy analogue as glycosidase inhibitors.
• Authors of publication: Salamone, Stéphane; Clement, Lise L.; Viuff, Agnete H.; Andersen, Ole Juul; Jensen, Frank; Jensen, Henrik H.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 29
• Pages of publication: 7979 - 7992
• a: 7.8734 ± 0.0002 Å
• b: 17.4148 ± 0.0005 Å
• c: 14.5347 ± 0.0004 Å
• α: 90°
• β: 91.013 ± 0.003°
• γ: 90°
• Cell volume: 1992.59 ± 0.09 ų
• Cell temperature: 125 ± 30 K
• Ambient diffraction temperature: 125 ± 30 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: 0.0554
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No