Information card for entry 4034758

Structure parameters

• Formula: C26 H22 O9
• Calculated formula: C26 H22 O9
• Title of publication: Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.
• Authors of publication: Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 24
• Pages of publication: 15426 - 15437
• a: 17.2624 ± 0.0005 Å
• b: 8.6308 ± 0.0002 Å
• c: 16.1531 ± 0.0005 Å
• α: 90°
• β: 109.286 ± 0.002°
• γ: 90°
• Cell volume: 2271.57 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No