Information card for entry 4118416

Structure parameters

• Formula: C12 H24 O2 Si
• Calculated formula: C12 H24 O2 Si
• SMILES: [C@H]1([C@@H]([C@@]2(CCC[C@@]1(C)O2)O)C)[Si](C)(C)C.[C@@H]1([C@H]([C@]2(CCC[C@]1(C)O2)O)C)[Si](C)(C)C
• Title of publication: Lactone Radical Cyclizations and Cyclization Cascades Mediated by SmI2-H2O
• Authors of publication: Dixit Parmar; Hiroshi Matsubara; Kieran Price; Malcolm Spain; David J. Procter
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 12751 - 12757
• a: 6.3855 ± 0.0008 Å
• b: 29.839 ± 0.004 Å
• c: 7.4877 ± 0.0009 Å
• α: 90°
• β: 109.527 ± 0.002°
• γ: 90°
• Cell volume: 1344.6 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1195
• Residual factor for significantly intense reflections: 0.1098
• Weighted residual factors for significantly intense reflections: 0.2395
• Weighted residual factors for all reflections included in the refinement: 0.2442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.308
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No