Information card for entry 4126513

Structure parameters

• Formula: C22 H22 Cl2 O6
• Calculated formula: C22 H22 Cl2 O6
• Title of publication: Biomimetic Total Synthesis of (±)-Griffipavixanthone via a Cationic Cycloaddition-Cyclization Cascade.
• Authors of publication: Reichl, Kyle D.; Smith, Michael J.; Song, Min K.; Johnson, Richard P.; Porco, Jr, John A
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 10.2329 ± 0.0004 Å
• b: 12.5402 ± 0.0005 Å
• c: 17.1485 ± 0.0007 Å
• α: 87.71 ± 0.002°
• β: 74.122 ± 0.002°
• γ: 76.856 ± 0.002°
• Cell volume: 2060.55 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No