Information card for entry 1571644

Structure parameters

• Formula: C47 H42 O6
• Calculated formula: C47 H42 O6
• 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: 10.9046 ± 0.0006 Å
• b: 14.0514 ± 0.0006 Å
• c: 24.7528 ± 0.0015 Å
• α: 90°
• β: 94.09 ± 0.002°
• γ: 90°
• Cell volume: 3783.1 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.0748
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No