Information card for entry 1515137

Structure parameters

• Formula: C29 H57 O4 Si2
• Calculated formula: C29 H57 O4 Si2
• SMILES: [Si](O[C@@H]1[C@H](C(=O)O[C@@H]([C@@H](C(=C)[C@H](O[Si](CC)(CC)CC)[C@@H](C[C@@H]1C)C)C)CC)C)(C)(C)C(C)(C)C
• Title of publication: Nickel-Catalyzed Regiodivergent Approach to Macrolide Motifs.
• Authors of publication: Shareef, Abdur-Rafay; Sherman, David H.; Montgomery, John
• Journal of publication: Chemical science (Royal Society of Chemistry : 2010)
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 3
• Pages of publication: 892 - 895
• a: 12.0562 ± 0.0002 Å
• b: 13.9646 ± 0.0003 Å
• c: 18.9224 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3185.8 ± 0.2 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 4
• 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: 0.0581
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No