Information card for entry 7710760

Structure parameters

• Formula: C19 H34 F6 O P2
• Calculated formula: C19 H34 F6 O P2
• SMILES: [P+](c1c(OC)cccc1)(C(C)(C)C)(C(C)(C)C)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Heterolytic carbon–iodine bond cleavage by a palladium(i) metalloradical
• Authors of publication: Sinclair, Matthew J. G.; Chaplin, Adrian B.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 8.1128 ± 0.0003 Å
• b: 16.6685 ± 0.0005 Å
• c: 16.0489 ± 0.0005 Å
• α: 90°
• β: 92.064 ± 0.003°
• γ: 90°
• Cell volume: 2168.86 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No