Information card for entry 4026681

Structure parameters

• Formula: C17 H30 O2
• Calculated formula: C17 H30 O2
• SMILES: O[C@H]1CCC=C([C@H]1[C@@H](O)CC(C)C)C1CCCCC1
• Title of publication: Catalytic Enantioselective Diboration of Cyclic Dienes. A Modified Ligand with General Utility
• Authors of publication: Kai Hong; James P. Morken
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 9102 - 9108
• a: 15.55 ± 0.0009 Å
• b: 10.1305 ± 0.0006 Å
• c: 20.3828 ± 0.0013 Å
• α: 90°
• β: 91.958 ± 0.005°
• γ: 90°
• Cell volume: 3209 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No