Information card for entry 4067674

Structure parameters

• Formula: C36 H26 N2 O8 Pd2
• Calculated formula: C36 H26 N2 O8 Pd2
• SMILES: c12ccccc1C=C1C(=O)OC(=[N]1[Pd]12[O]=C(O[Pd]2(c3ccccc3C=C3C(=O)OC(=[N]23)c2ccccc2)[O]=C(O1)C)C)c1ccccc1
• Title of publication: Ortho-Palladation of (Z)-2-Aryl-4-Arylidene-5(4H)-Oxazolones. Structure and Functionalization
• Authors of publication: Roiban, Gheorghe-Doru; Serrano, Elena; Soler, Tatiana; Contel, Maria; Grosu, Ion; Cativiela, Carlos; Urriolabeitia, Esteban P.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 6
• Pages of publication: 1428
• a: 14.642 ± 0.003 Å
• b: 10.676 ± 0.002 Å
• c: 20.021 ± 0.004 Å
• α: 90°
• β: 92.61 ± 0.03°
• γ: 90°
• Cell volume: 3126.4 ± 1.1 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0213
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No