Information card for entry 4109365

Structure parameters

• Formula: C22 H28 N2 O6
• Calculated formula: C22 H28 N2 O6
• SMILES: O(C(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1)[C@@H](C(C)(C)C)[C@H]1C(=C)[C@H]2C[C@@H](C1)C2(C)C
• Title of publication: Highly Diastereoselective Synthesis of Homoallylic Alcohols Bearing Adjacent Quaternary Centers Using Substituted Allylic Zinc Reagents
• Authors of publication: Hongjun Ren; Guillaume Dunet; Peter Mayer; Paul Knochel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 5376 - 5377
• a: 10.0151 ± 0.0003 Å
• b: 9.6694 ± 0.0002 Å
• c: 11.7012 ± 0.0003 Å
• α: 90°
• β: 108.036 ± 0.0015°
• γ: 90°
• Cell volume: 1077.46 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No