Information card for entry 4107554

Structure parameters

• Formula: C27 H38 O7
• Calculated formula: C27 H38 O7
• SMILES: [C@@]12(CC[C@@](C(=O)O2)(C1(C)C)C)C(=O)O[C@H]([C@H](C)OCc1ccc(cc1)OC)C(=O)CC(C)(C)C
• Title of publication: Generation and Tandem Reactions of 1-Alkenyl-1,1-Heterobimetallics: Practical and Versatile Reagents for Organic Synthesis
• Authors of publication: Hongmei Li; Patrick J. Carroll; Patrick J. Walsh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 3521 - 3531
• a: 6.1938 ± 0.0008 Å
• b: 10.7636 ± 0.0014 Å
• c: 19.644 ± 0.003 Å
• α: 90°
• β: 91.99 ± 0.003°
• γ: 90°
• Cell volume: 1308.8 ± 0.3 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 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: 0.0556
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 0.769
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No