Information card for entry 7121715

Structure parameters

• Chemical name: GR1JM528C
• Formula: C26 H28
• Calculated formula: C26 H28
• Title of publication: Palladium-catalyzed cocyclotrimerization of arynes with a pyramidalized alkene.
• Authors of publication: Alonso, José M; Quiroga, Sabela; Codony, Sandra; Turcu, Andreea L.; Barniol-Xicota, Marta; Pérez, Dolores; Guitián, Enrique; Vázquez, Santiago; Peña, Diego
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 47
• Pages of publication: 5996 - 5999
• a: 15.0392 ± 0.001 Å
• b: 7.6824 ± 0.0006 Å
• c: 15.9139 ± 0.0011 Å
• α: 90°
• β: 91.082 ± 0.005°
• γ: 90°
• Cell volume: 1838.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• 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: 0.1059
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No