Information card for entry 4033546

Structure parameters

• Chemical name: biphenyl
• Formula: C47 H36
• Calculated formula: C47 H36
• SMILES: c1c(c2ccc(cc2)c2ccccc2)c2c(cc1)c(c1c(c(ccc1)c1ccc(cc1)c1ccccc1)c2)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: 8.427 ± 0.002 Å
• b: 11.446 ± 0.003 Å
• c: 19.827 ± 0.005 Å
• α: 105.602 ± 0.004°
• β: 98.716 ± 0.004°
• γ: 94.253 ± 0.004°
• Cell volume: 1807.4 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.1762
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.2076
• Weighted residual factors for all reflections included in the refinement: 0.2517
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No