Information card for entry 1507103

Structure parameters

• Formula: C12 H24 O2
• Calculated formula: C12 H24 O2
• Title of publication: Samarium diiodide coupling of enones: a remarkable cascade sequence.
• Authors of publication: Howells, Dean M.; Barker, Sarah M.; Watson, Faye C.; Light, Mark E.; Hursthouse, Michael B.; Kilburn, Jeremy D.
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 12
• Pages of publication: 1943 - 1945
• a: 10.8507 ± 0.0002 Å
• b: 14.8374 ± 0.0003 Å
• c: 14.967 ± 0.0003 Å
• α: 90°
• β: 91.428 ± 0.001°
• γ: 90°
• Cell volume: 2408.88 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No