Information card for entry 4003630

Structure parameters

• Formula: C40 H50 Br2 O8
• Calculated formula: C40 H50 Br2 O8
• Title of publication: Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity
• Authors of publication: Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• Journal volume: 32
• Journal issue: 14
• Pages of publication: 5927 - 5936
• a: 29.824 ± 0.007 Å
• b: 12.296 ± 0.002 Å
• c: 22.185 ± 0.004 Å
• α: 90°
• β: 111.789 ± 0.002°
• γ: 90°
• Cell volume: 7554 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• 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: 0.0999
• Residual factor for significantly intense reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.2364
• Weighted residual factors for all reflections included in the refinement: 0.2426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.6525 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No