Information card for entry 4112179

Structure parameters

• Formula: C20 H20 O8
• Calculated formula: C20 H20 O8
• SMILES: O=C1[C@@H]2O[C@@H]2[C@@H](O)C2=C1[C@H]1[C@H](O[C@@H]2[C@H]2O[C@@H]([C@@H]1C1=C2[C@H](O)[C@H]2O[C@H]2C1=O)C)C
• Title of publication: Synthesis of the Epoxyquinol Dimer RKB-3564 D: Utilization of an Alkoxysilanol To Promote [4 + 4] Dimerization
• Authors of publication: Chaomin Li; John A. Porco
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 1310 - 1311
• a: 8.256 ± 0.006 Å
• b: 7.118 ± 0.005 Å
• c: 14.087 ± 0.011 Å
• α: 90°
• β: 96.259 ± 0.019°
• γ: 90°
• Cell volume: 822.9 ± 1.1 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.0816
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No