Information card for entry 1571645

Structure parameters

• Formula: C41 H29 F
• Calculated formula: C41 H29 F
• 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: 10.256 ± 0.002 Å
• b: 20.262 ± 0.004 Å
• c: 29.739 ± 0.006 Å
• α: 94.02 ± 0.03°
• β: 93.18 ± 0.03°
• γ: 103.46 ± 0.03°
• Cell volume: 5979 ± 2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1758
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.2102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No