Information card for entry 1516775

Structure parameters

• Formula: C26 H22 O9
• Calculated formula: C26 H22 O9
• SMILES: O1C(=O)c2cc(OC)cc(OC)c2C21c1cc(OC)cc(O)c1C(=O)c1cc(OC)cc(OC)c21
• Title of publication: Syntheses of Cyclotriveratrylene Analogues and Their Long Elusive Triketone Congeners.
• Authors of publication: Wright, Nathan E.; ElSohly, Adel M.; Snyder, Scott A.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 14
• Pages of publication: 3644
• a: 7.6867 ± 0.0008 Å
• b: 9.696 ± 0.001 Å
• c: 15.7952 ± 0.0017 Å
• α: 100.828 ± 0.002°
• β: 98.209 ± 0.002°
• γ: 102.819 ± 0.002°
• Cell volume: 1106.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No