Information card for entry 4103563

Structure parameters

• Common name: compound RRRR14b
• Formula: C19 H24 O2
• Calculated formula: C19 H24 O2
• SMILES: C1CC[C@@H](C2=C[C@@H]3C(=C[C@H]2C3)[C@@H]2CCCC(=O)C2)CC1=O
• Title of publication: Cobalt-Mediated, Enantioselective Synthesis of C2 and C1 Dienes
• Authors of publication: W. Christopher Boyd; Mark R. Crimmin; Lauren E. Rosebrugh; Jennifer M. Schomaker; Robert G. Bergman; F. Dean Toste
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 16365 - 16367
• a: 6.4289 ± 0.0002 Å
• b: 9.9793 ± 0.0003 Å
• c: 12.8331 ± 0.0004 Å
• α: 81.995 ± 0.002°
• β: 85.672 ± 0.002°
• γ: 74.704 ± 0.002°
• Cell volume: 785.77 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No