Information card for entry 7131211

Structure parameters

• Formula: C60 H64 O Si
• Calculated formula: C60 H64 O Si
• SMILES: [Si](C#Cc1c2c(c(c3c1cccc3)c1c3c(c(c4c1cccc4)C(O)(c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)cccc3)cccc2)(C(C)C)(C(C)C)C(C)C
• Title of publication: Synthesis and structure elucidation of triarylmethyl radicals with anthryl substitution.
• Authors of publication: Wang, Peng; Hu, Jinlian; Xu, Zhuofan; Pu, Zhaofangzhou; Sato, Sota; Zhang, Xiaotao; Hu, Wenping; Sun, Zhe
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 14
• Pages of publication: 2015 - 2018
• a: 22.2041 ± 0.0005 Å
• b: 17.585 ± 0.0004 Å
• c: 12.6494 ± 0.0003 Å
• α: 90°
• β: 105.508 ± 0.002°
• γ: 90°
• Cell volume: 4759.3 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.1267
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.2553
• Weighted residual factors for all reflections included in the refinement: 0.2949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No