Information card for entry 7127280

Structure parameters

• Common name: IP480F2F3
• Chemical name: IP480F2F3
• Formula: C103 H63 Cl9 O2
• Calculated formula: C103 H63 Cl9 O2
• Title of publication: 2,6,10-Triphenylenotriyne: a star-shaped trisaryne.
• Authors of publication: Pozo, Iago; Peña, Diego; Guitián, Enrique; Pérez, Dolores
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 84
• Pages of publication: 12853 - 12856
• a: 15.3787 ± 0.0005 Å
• b: 16.0584 ± 0.0006 Å
• c: 16.3664 ± 0.0006 Å
• α: 85.569 ± 0.002°
• β: 82.256 ± 0.002°
• γ: 71.671 ± 0.002°
• Cell volume: 3799.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1291
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.242
• Weighted residual factors for all reflections included in the refinement: 0.2814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No