Information card for entry 4029578

Structure parameters

• Formula: C29 H38 O9
• Calculated formula: C29 H38 O9
• SMILES: O1C(=C2CC(C(C[C@H]2[C@H]([C@@H]1c1ccccc1)C)(C(=O)OCC)C(=O)OCC)(C(=O)OCC)C(=O)OCC)C.O1C(=C2CC(C(C[C@@H]2[C@@H]([C@H]1c1ccccc1)C)(C(=O)OCC)C(=O)OCC)(C(=O)OCC)C(=O)OCC)C
• Title of publication: Nickel-catalyzed cycloadditions of unsaturated hydrocarbons, aldehydes, and ketones.
• Authors of publication: Tekavec, Thomas N.; Louie, Janis
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2008
• Journal volume: 73
• Journal issue: 7
• Pages of publication: 2641 - 2648
• a: 9.4654 ± 0.0003 Å
• b: 12.0269 ± 0.0005 Å
• c: 13.8261 ± 0.0005 Å
• α: 115.772 ± 0.0017°
• β: 93.782 ± 0.003°
• γ: 101.877 ± 0.003°
• Cell volume: 1365.31 ± 0.09 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No