Information card for entry 4089419

Structure parameters

• Formula: C24 H34 P2 Pd
• Calculated formula: C24 H34 P2 Pd
• SMILES: C[P](C)(C)[Pd]1(C/C(=C\c2ccccc2)/C(=C/c2ccccc2)C1)[P](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: 11.5722 ± 0.0007 Å
• b: 15.5202 ± 0.0009 Å
• c: 13.4168 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2409.7 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No