Information card for entry 4089420

Structure parameters

• Formula: C16 H26 O2 P2 Pd
• Calculated formula: C16 H26 O2 P2 Pd
• SMILES: C[P]([Pd]1(OC(=O)C(=C\c2ccccc2)\C1)[P](C)(C)C)(C)C
• Title of publication: Synthesis and Reactivity of Five-Membered Palladalactones from Arylallenes and Carbon Dioxide: Relevance to Catalytic Lactone Synthesis
• Authors of publication: Choi, Jun-Chul; Shiraishi, Kouichi; Takenaka, Yasumasa; Yasuda, Hiroyuki; Sakakura, Toshiyasu
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 11
• Pages of publication: 3411
• a: 11.2573 ± 0.0004 Å
• b: 15.9973 ± 0.0006 Å
• c: 10.1755 ± 0.0004 Å
• α: 90°
• β: 99.79°
• γ: 90°
• Cell volume: 1805.78 ± 0.12 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0171
• Residual factor for significantly intense reflections: 0.0155
• Weighted residual factors for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections included in the refinement: 0.0413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No