Information card for entry 7159385

Structure parameters

• Formula: C32 H40 O7
• Calculated formula: C32 H40 O7
• SMILES: O1C(=O)[C@@]2(C([C@]1(CC2)C(=O)OC1=C([C@@]([C@](C1=O)(C(=O)OCc1ccccc1)C)(C1CCCCC1)C)C)(C)C)C
• Title of publication: Anion-accelerated asymmetric Nazarov cyclization: access to vicinal all-carbon quaternary stereocenters.
• Authors of publication: Dickinson, Cody F.; Yap, Glenn P. A.; Tius, Marcus A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 24
• Pages of publication: 5014 - 5020
• a: 6.7321 ± 0.0002 Å
• b: 9.8995 ± 0.0003 Å
• c: 41.9029 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2792.59 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0622
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No