Information card for entry 7129730

Structure parameters

• Formula: C91 H67
• Calculated formula: C91 H67
• 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: 15.4442 ± 0.0006 Å
• b: 16.8575 ± 0.0005 Å
• c: 17.7961 ± 0.0004 Å
• α: 63.34 ± 0.003°
• β: 70.016 ± 0.003°
• γ: 86.686 ± 0.003°
• Cell volume: 3866.1 ± 0.3 ų
• Cell temperature: 120.15 K
• Ambient diffraction temperature: 120.15 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: 0.0909
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.1855
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No