Information card for entry 7111544

Structure parameters

• Formula: C42 H32 Cl4 F6 N2 O12 Pd2
• Calculated formula: C42 H32 Cl4 F6 N2 O12 Pd2
• Title of publication: Unexpected [2 + 2] C‒C bond coupling due to photocycloaddition on orthopalladated (Z)-2-aryl-4-arylidene-5(4H)-oxazolones
• Authors of publication: Roiban, Doru; Serrano, Elena; Soler, Tatiana; Grosu, Ion; Cativiela, Carlos; Urriolabeitia, Esteban P.
• Journal of publication: Chemical Communications
• Year of publication: 2009
• Journal issue: 31
• Pages of publication: 4681 - 4683
• a: 14.74 ± 0.0003 Å
• b: 16.7687 ± 0.0003 Å
• c: 19.4056 ± 0.0004 Å
• α: 88.7425 ± 0.0017°
• β: 74.758 ± 0.002°
• γ: 80.4262 ± 0.0018°
• Cell volume: 4562.12 ± 0.16 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No