Information card for entry 4034755

Structure parameters

• Formula: C34 H40 O13
• Calculated formula: C34 H40 O13
• 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: 24.0009 ± 0.0011 Å
• b: 8.5212 ± 0.0004 Å
• c: 31.56 ± 0.002 Å
• α: 90°
• β: 93.151 ± 0.002°
• γ: 90°
• Cell volume: 6444.8 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1295
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.2113
• Weighted residual factors for all reflections included in the refinement: 0.2532
• 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