Information card for entry 4033545

Structure parameters

• Formula: C70 H52
• Calculated formula: C70 H52
• SMILES: c12cccc3c(c4cccc(c4cc13)c1ccc(c3ccc(c4cccc5c(c6cccc(c7ccc(c8ccc2cc8)cc7)c6cc45)c2c(cc(cc2C)C)C)cc3)cc1)c1c(cc(cc1C)C)C
• Title of publication: 10-Mesityl-1,8-diphenylanthracene Dimer: Synthesis, Structure, and Properties.
• Authors of publication: Shirai, Atsumi; Sano, Hiroto; Nakamura, Yuki; Takashika, Masataka; Otani, Hiroyuki; Hasegawa, Masashi; Kato, Shin-Ichiro; Iyoda, Masahiko
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 7
• Pages of publication: 3857 - 3863
• a: 10.338 ± 0.004 Å
• b: 11.016 ± 0.006 Å
• c: 22.351 ± 0.009 Å
• α: 88.2 ± 0.04°
• β: 77.272 ± 0.017°
• γ: 86.4 ± 0.03°
• Cell volume: 2477.6 ± 1.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.164
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for significantly intense reflections: 0.2484
• Weighted residual factors for all reflections included in the refinement: 0.3214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No