Information card for entry 1571643

Structure parameters

• Formula: C47 H42
• Calculated formula: C47 H42
• Title of publication: Copper-catalysed perarylation of cyclopentadiene: synthesis of hexaarylcyclopentadienes.
• Authors of publication: Gisbert, Yohan; Simón Marqués, Pablo; Baccini, Caterina; Abid, Seifallah; Saffon-Merceron, Nathalie; Rapenne, Gwénaël; Kammerer, Claire
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 24
• Pages of publication: 9127 - 9137
• a: 13.3948 ± 0.0006 Å
• b: 14.7194 ± 0.0006 Å
• c: 20.6475 ± 0.0009 Å
• α: 100.057 ± 0.002°
• β: 93.842 ± 0.002°
• γ: 115.215 ± 0.002°
• Cell volume: 3580.5 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.0819
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No