Information card for entry 7027214

Structure parameters

• Formula: C42 H37 F3 N2 O2 P2 Pd
• Calculated formula: C42 H37 F3 N2 O2 P2 Pd
• Title of publication: Comments on the catalytic alkoxycarbonylation of alkynes
• Authors of publication: Dervisi, Athanasia; Edwards, Peter G.; Newman, Paul D.; Tooze, Robert P.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 7
• Pages of publication: 1113
• a: 11.557 ± 0.004 Å
• b: 20.895 ± 0.002 Å
• c: 15.5579 ± 0.0007 Å
• α: 90°
• β: 92.767 ± 0.01°
• γ: 90°
• Cell volume: 3752.6 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0533
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for all reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.063
• Goodness-of-fit parameter for all reflections: 0.834
• Goodness-of-fit parameter for significantly intense reflections: 0.979
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No