Information card for entry 4023603

Structure parameters

• Formula: C27 H36 O9
• Calculated formula: C27 H36 O9
• SMILES: C1[C@H]([C@H]([C@H]2[C@H]([C@@H](CO)O)O[C@@]([C@@](C)(O2)OC)(C)OC)O[C@H](c2ccccc2)O1)OCc1ccccc1
• Title of publication: Studies Directed toward the Stereochemical Structure Determination of the Naturally Occurring Glucosidase Inhibitor, Kotalanol: Synthesis and Inhibitory Activities against Human Maltase Glucoamylase of Seven-Carbon, Chain-Extended Homologues of Salacinol
• Authors of publication: Ravindranath Nasi; Brian O. Patrick; Lyann Sim; David R. Rose; B. Mario Pinto
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 6172 - 6181
• a: 23.975 ± 0.003 Å
• b: 23.975 ± 0.003 Å
• c: 9.5693 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4763.5 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.207
• Weighted residual factors for all reflections included in the refinement: 0.2201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No