Information card for entry 1516317

Structure parameters

• Formula: C17 H25 O3.5 Si
• Calculated formula: C17 H25 O3.5 Si
• SMILES: [C@@]12(C(=O)OC[C@H]1[Si](C)(C)c1ccccc1)[C@](CCC2)(C)O.[C@]12(C(=O)OC[C@@H]1[Si](C)(C)c1ccccc1)[C@@](CCC2)(C)O.O
• 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: 19.902 ± 0.002 Å
• b: 24.903 ± 0.003 Å
• c: 6.7798 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3360.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 1503298
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No