Information card for entry 4032879

Structure parameters

• Formula: C26 H26 O2
• Calculated formula: C26 H26 O2
• SMILES: O1[C@@H](O)[C@@H]([C@H]([C@H]2[C@@H]1c1c(C2)cccc1)c1ccccc1)CCc1ccccc1
• Title of publication: Asymmetric Organocatalytic One-Pot, Two-Step Sequential Process to Synthesize Chiral Acetal-Containing Polycyclic Derivatives from Cyclic Hemiacetals and Enones.
• Authors of publication: Liu, Chao; Liu, Yan-Kai
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 19
• Pages of publication: 10450 - 10460
• a: 12.6744 ± 0.0007 Å
• b: 5.1327 ± 0.0003 Å
• c: 16.2796 ± 0.0009 Å
• α: 90°
• β: 110.498 ± 0.002°
• γ: 90°
• Cell volume: 992 ± 0.1 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0274
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No