Information card for entry 7154556

Structure parameters

• Formula: C29 H34 O5
• Calculated formula: C29 H34 O5
• SMILES: c1cc(ccc1)CO[C@H]1[C@H]([C@H](C[C@@H](C[C@H]1OCc1ccccc1)O)O)COCc1ccccc1
• 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: 9.3233 ± 0.0006 Å
• b: 10.2871 ± 0.0008 Å
• c: 26.846 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2574.8 ± 0.3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 3
• 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: 0.0955
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No