Information card for entry 7236668

Structure parameters

• Common name: triptycene tribenzoquinone
• Chemical name: 9,10-dihydro-9,10-o-Benzenoanthracene-1,4,5,8,13,16-hexone
• Formula: C20 H8 O6
• Calculated formula: C20 H8 O6
• Title of publication: Triptycene-based quinone molecules showing multi-electron redox reactions for large capacity and high energy organic cathode materials in Li-ion batteries
• Authors of publication: Kwon, Ji Eon; Hyun, Chang-Seok; Ryu, Young Jun; Lee, Joungphil; Min, Dong Joo; Park, Moon Jeong; An, Byeong-Kwan; Park, Soo Young
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 3134
• a: 10.8498 ± 0.0004 Å
• b: 10.8498 ± 0.0004 Å
• c: 12.7484 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1500.72 ± 0.1 ų
• Cell temperature: 304.5 K
• Ambient diffraction temperature: 304.5 K
• Number of distinct elements: 3
• Space group number: 109
• Hermann-Mauguin space group symbol: I 41 m d
• Hall space group symbol: I 4bw -2
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No