Information card for entry 4026587

Structure parameters

• Formula: C31 H60 O7 Si2
• Calculated formula: C31 H60 O7 Si2
• SMILES: [Si](O[C@@H]1[C@H](C(=O)O[C@@H]([C@@](O)(C=CC(=O)CC[C@@](O[Si](C)(C)C(C)(C)C)([C@H](OC)C1)C)C)CC)C)(C)(C)C(C)(C)C
• Title of publication: Total Synthesis of (-)-4,8,10-Tridesmethyl Telithromycin
• Authors of publication: Venkata Velvadapu; Tapas Paul; Bharat Wagh; Ian Glassford; Charles DeBrosse; Rodrigo B. Andrade
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 7516 - 7527
• a: 14.5401 ± 0.0015 Å
• b: 15.8885 ± 0.0015 Å
• c: 18.4527 ± 0.0015 Å
• α: 86.76 ± 0.005°
• β: 79.926 ± 0.005°
• γ: 64.92 ± 0.005°
• Cell volume: 3800.8 ± 0.6 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1958
• Weighted residual factors for all reflections included in the refinement: 0.2169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No