Information card for entry 1504672

Structure parameters

• Formula: C21 H34 O5
• Calculated formula: C21 H34 O5
• SMILES: O[C@]1([C@@]2(CC[C@H](C1)C2(C)C)C)C(=O)CC[C@@](C(=O)OC(C)C)(C(=O)C)C
• Title of publication: Catalytic Michael reactions of ketoesters with a camphor-derived acrylate equivalent: stereoselective access to all-carbon quaternary centers.
• Authors of publication: Palomo, Claudio; Oiarbide, Mikel; García, Jesús M; Bañuelos, Patricia; Odriozola, José M; Razkin, Jesús; Linden, Anthony
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 13
• Pages of publication: 2637 - 2640
• a: 6.5252 ± 0.0003 Å
• b: 11.736 ± 0.0005 Å
• c: 26.8237 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2054.15 ± 0.16 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No