Information card for entry 7121716

Structure parameters

• Chemical name: GR1JM537C
• Formula: C35 H33 Cl3
• Calculated formula: C35 H33 Cl3
• 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: 9.5957 ± 0.0002 Å
• b: 12.2865 ± 0.0003 Å
• c: 13.243 ± 0.0003 Å
• α: 73.4435 ± 0.0014°
• β: 72.2898 ± 0.0011°
• γ: 73.1598 ± 0.0011°
• Cell volume: 1389.97 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0743
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No