Information card for entry 4026110

Structure parameters

• Formula: C39 H41 N O6 Si
• Calculated formula: C39 H41 N O6 Si
• SMILES: [Si](OC[C@H]1O[C@H](C=C[C@H]1N1C(=O)c2ccccc2C1=O)CC(=O)OC)(C(C)(C)C)(c1ccccc1)c1ccccc1.c1ccccc1
• Title of publication: Large-Scale Synthesis of All Stereoisomers of a 2,3-Unsaturated C-Glycoside Scaffold
• Authors of publication: Baudouin Gerard; Jean-Charles Marié; Bhaumik A. Pandya; Maurice D. Lee IV; Haibo Liu; Lisa A. Marcaurelle
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 1898 - 1901
• a: 17.42 ± 0.0003 Å
• b: 11.1931 ± 0.0002 Å
• c: 19.4979 ± 0.0005 Å
• α: 90°
• β: 113.113 ± 0.001°
• γ: 90°
• Cell volume: 3496.62 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No