Information card for entry 1506877

Structure parameters

• Formula: C12 H24 O2 Si
• Calculated formula: C12 H24 O2 Si
• SMILES: [C@@H]1(C(=C\[Si](C)(C)C)\[C@@H](CC1(C)C)CO)O.[C@H]1(C(=C\[Si](C)(C)C)\[C@H](CC1(C)C)CO)O
• Title of publication: Selective oxidation of zirconocyclopentenes via organoboranes.
• Authors of publication: Gorman, Jeffrey S. T.; Iacono, Scott T.; Pagenkopf, Brian L.
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 67 - 70
• a: 6.8202 ± 0.0007 Å
• b: 9.76 ± 0.001 Å
• c: 11.627 ± 0.002 Å
• α: 78.101 ± 0.004°
• β: 76.898 ± 0.005°
• γ: 75.658 ± 0.007°
• Cell volume: 721.02 ± 0.16 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.29
• Residual factor for significantly intense reflections: 0.1139
• Weighted residual factors for significantly intense reflections: 0.2067
• Weighted residual factors for all reflections included in the refinement: 0.2396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.488
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No