Information card for entry 7129728

Structure parameters

• Formula: C72 H67 Si
• Calculated formula: C72 H67 Si
• SMILES: [Si](C#Cc1c2c(c([C](c3c4c(c(c5c3cccc5)c3c(cc(cc3C)C)C)cccc4)c3c4c(c(c5c3cccc5)c3c(cc(cc3C)C)C)cccc4)c3ccccc13)cccc2)(C(C)C)(C(C)C)C(C)C
• Title of publication: Synthesis, properties and chemical modification of a persistent triisopropylsilylethynyl substituted tri(9-anthryl)methyl radical
• Authors of publication: Nishiuchi, Tomohiko; Ishii, Daisuke; Aibara, Seito; Sato, Hiroyasu; Kubo, Takashi
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 15.7578 ± 0.0007 Å
• b: 16.3981 ± 0.0005 Å
• c: 22.2474 ± 0.0008 Å
• α: 90°
• β: 109.503 ± 0.004°
• γ: 90°
• Cell volume: 5418.8 ± 0.4 ų
• Cell temperature: 120.15 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1269
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No