Information card for entry 7154195

Structure parameters

• Formula: C42 H38 O12
• Calculated formula: C42 H38 O12
• SMILES: O1[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]1OCC=C(c1ccccc1)CC(C2)(C(=O)OC)C(=O)OC
• Title of publication: Palladium(0)-catalyzed synthesis of cyclic glucosides.
• Authors of publication: Huang, Xin; Fu, Chunling; Ma, Shengming
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 248 - 251
• a: 7.29191 ± 0.00019 Å
• b: 16.5352 ± 0.0004 Å
• c: 16.003 ± 0.0004 Å
• α: 90°
• β: 99.499 ± 0.003°
• γ: 90°
• Cell volume: 1903.08 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No