Information card for entry 7153288

Structure parameters

• Formula: C25 H34 B11 Cl14 O Si
• Calculated formula: C25 H34 B11 Cl14 O Si
• Title of publication: Searching for intermediates in Prins cyclisations: the 2-oxa-5-adamantyl carbocation.
• Authors of publication: Alder, Roger W.; Carta, Fabrizio; Reed, Christopher A.; Stoyanova, Irina; Willis, Christine L.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 1551 - 1559
• a: 15.197 ± 0.0005 Å
• b: 14.7033 ± 0.0005 Å
• c: 19.8581 ± 0.0007 Å
• α: 90°
• β: 110.457 ± 0.0006°
• γ: 90°
• Cell volume: 4157.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0763
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No