Information card for entry 7048319

Structure parameters

• Formula: C19 H15 Cl5 O W
• Calculated formula: C19 H15 Cl5 O W
• Title of publication: Straightforward formation of carbocations from tertiary carboxylic acids via CO release at room temperature.
• Authors of publication: Bartalucci, Niccolò; Bortoluzzi, Marco; Zacchini, Stefano; Pampaloni, Guido; Marchetti, Fabio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 1574 - 1577
• a: 14.275 ± 0.002 Å
• b: 7.9205 ± 0.0011 Å
• c: 18.698 ± 0.003 Å
• α: 90°
• β: 103.08 ± 0.002°
• γ: 90°
• Cell volume: 2059.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0441
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No