Information card for entry 1503297

Structure parameters

• Formula: C18 H24 O3 Si
• Calculated formula: C18 H24 O3 Si
• SMILES: [Si](c1ccccc1)(C)(C)C1C(=C\CC(C=O)(C)C)/C(=O)OC1
• Title of publication: SmI~2~-mediated radical cyclizations directed by a C-Si bond
• Authors of publication: Harb, Hassan Y.; Collins, Karl D.; Garcia Altur, Jose V.; Bowker, Sue; Campbell, Leonie; Procter, David J.
• Journal of publication: Organic Letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 23
• Pages of publication: 5446 - 5449
• a: 18.994 ± 0.003 Å
• b: 7.2836 ± 0.001 Å
• c: 25.679 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3552.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.125
• Residual factor for significantly intense reflections: 0.1041
• Weighted residual factors for significantly intense reflections: 0.264
• Weighted residual factors for all reflections included in the refinement: 0.2796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No