Information card for entry 4114322

Structure parameters

• Formula: C17 H20 O2
• Calculated formula: C17 H20 O2
• SMILES: O[C@@H]1[C@@H]2[C@H](O)CC[C@]32CCCC3=C1c1ccccc1.O[C@H]1[C@H]2[C@@H](O)CC[C@@]32CCCC3=C1c1ccccc1
• Title of publication: Cascade Cyclizations and Couplings Involving Nickel Enolates
• Authors of publication: Gireesh M. Mahandru; Andy R. L. Skauge; Sanjoy K. Chowdhury; Kande K. D. Amarasinghe; Mary Jane Heeg; John Montgomery
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 13481 - 13485
• a: 9.65 ± 0.001 Å
• b: 9.8364 ± 0.0012 Å
• c: 14.572 ± 0.0017 Å
• α: 90°
• β: 91.676 ± 0.003°
• γ: 90°
• Cell volume: 1382.6 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.088
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No