Information card for entry 4025048

Structure parameters

• Common name: Hart 1731
• Formula: C16 H26 O3 Si
• Calculated formula: C16 H26 O3 Si
• SMILES: [C@@]123[C@H](C(=C([C@H]1[C@](CC(=C2)C)(OC3)OC)C)[Si](C)(C)C)O.[C@]123[C@@H](C(=C([C@@H]1[C@@](CC(=C2)C)(OC3)OC)C)[Si](C)(C)C)O
• Title of publication: Two Approaches to Diverting the Course of a Free-Radical Cyclization: Application of Cyclopropylcarbinyl Radical Fragmentations and Allenes as Radical Acceptors
• Authors of publication: Dexi Yang; Valerie Cwynar; Matthew G. Donahue; David J. Hart; Grace Mbogo
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 8726 - 8732
• a: 11.1345 ± 0.0001 Å
• b: 18.9292 ± 0.0002 Å
• c: 15.6921 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3307.38 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No