Information card for entry 7047410

Structure parameters

• Formula: C294 H293 Cl24 N24 O25 Pd8
• Calculated formula: C294 H293 Cl24 N24 O25 Pd8
• Title of publication: Benzyloxycalix[8]arene: a new valuable support for NHC palladium complexes in C-C Suzuki-Miyaura couplings.
• Authors of publication: Abdellah, Ibrahim; Kasongo, Pauline; Labattut, Axel; Guillot, Régis; Schulz, Emmanuelle; Martini, Cyril; Huc, Vincent
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 39
• Pages of publication: 13843 - 13848
• a: 28.057 ± 0.002 Å
• b: 37.109 ± 0.003 Å
• c: 28.306 ± 0.002 Å
• α: 90°
• β: 90.656 ± 0.002°
• γ: 90°
• Cell volume: 29469 ± 4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• 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: 0.2436
• Residual factor for significantly intense reflections: 0.1004
• Weighted residual factors for significantly intense reflections: 0.2174
• Weighted residual factors for all reflections included in the refinement: 0.279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No