Information card for entry 7150815

Structure parameters

• Formula: C28 H46 O5 Si
• Calculated formula: C28 H46 O5 Si
• SMILES: [Si](OC[C@H]1O[C@@H]([C@@H](OCc2ccc(OC)cc2)CC=CC1)[C@H](O)C=C)(C(C)C)(C(C)C)C(C)C
• Title of publication: The Claisen rearrangement approach to fused bicyclic medium-ring oxacycles
• Authors of publication: Burton, Jonathan W.; Anderson, Edward A.; O'Sullivan, Paul T.; Collins, Ian; Davies, John E.; Bond, Andrew D.; Feeder, Neil; Holmes, Andrew B.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 693 - 702
• a: 8.43 ± 0.001 Å
• b: 16.304 ± 0.001 Å
• c: 20.801 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2858.9 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0655
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No