Information card for entry 7128481

Structure parameters

• Formula: C42 H24 O12
• Calculated formula: C42 H24 O12
• Title of publication: Pillar[6]quinone: facile synthesis, crystal structures and electrochemical properties.
• Authors of publication: Hirohata, Tomoki; Shida, Naoki; Uekusa, Hidehiro; Yasuda, Nobuhiro; Nishihara, Hirotomo; Ogoshi, Tomoki; Tomita, Ikuyoshi; Inagi, Shinsuke
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 52
• Pages of publication: 6360 - 6363
• a: 14.2829 ± 0.0006 Å
• b: 14.2829 ± 0.0006 Å
• c: 5.2532 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 928.08 ± 0.08 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.2377
• Weighted residual factors for all reflections included in the refinement: 0.2585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.81078 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No