Information card for entry 1550133

Structure parameters

• Formula: C24 H32 O8
• Calculated formula: C24 H32 O8
• SMILES: O(C)C(=O)[C@@H]1[C@H]2OCCOC2=C2[C@]3(C)[C@H]1[C@H](OC)O[C@@H]3C[C@@H](C(=C)C)[C@H]2C1=COCCO1
• Title of publication: A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture
• Authors of publication: Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 7.4736 ± 0.0001 Å
• b: 20.0163 ± 0.0002 Å
• c: 8.2616 ± 0.0001 Å
• α: 90°
• β: 113.345 ± 0.002°
• γ: 90°
• Cell volume: 1134.71 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0408
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No