Information card for entry 4130964

Structure parameters

• Formula: C102 H96
• Calculated formula: C102 H96
• SMILES: C1(=C/2C=CC3=C(c4c5ccccc5c(c5ccccc45)c4cc(cc(c4)C(C)(C)C)C(C)(C)C)c4ccc(cc4C3=C2)c2ccc(cc2)C(C)(C)C)/C=C2c3cc(ccc3C(=C2C=C1)c1c2ccccc2c(c2ccccc12)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1ccc(cc1)C(C)(C)C
• Title of publication: Stable 3,6-Linked Fluorenyl Radical Oligomers with Intramolecular Antiferromagnetic Coupling and Polyradical Characters.
• Authors of publication: Lu, Xuefeng; Lee, Sangsu; Kim, Jun Oh; Gopalakrishna, Tullimilli Y.; Phan, Hoa; Herng, Tun Seng; Lim, Zhenglong; Zeng, Zebing; Ding, Jun; Kim, Dongho; Wu, Jishan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 39
• Pages of publication: 13048 - 13058
• a: 53.095 ± 0.004 Å
• b: 10.224 ± 0.0008 Å
• c: 35.66 ± 0.002 Å
• α: 90°
• β: 109.528 ± 0.007°
• γ: 90°
• Cell volume: 18244 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2116
• Residual factor for significantly intense reflections: 0.1736
• Weighted residual factors for significantly intense reflections: 0.4337
• Weighted residual factors for all reflections included in the refinement: 0.4579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.554
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No