Information card for entry 4518294

Structure parameters

• Formula: C32 H32 Br2 Cl2 N4 O Pd
• Calculated formula: C32 H30 Br2 Cl2 N4 O Pd
• Title of publication: Regioselective Synthesis of Chromones via Cyclocarbonylative Sonogashira Coupling Catalyzed by Highly Active Bridged-Bis(N-Heterocyclic Carbene)Palladium(II) Complexes.
• Authors of publication: Mansour, Waseem; Fettouhi, Mohammed; El Ali, Bassam
• Journal of publication: ACS omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 50
• Pages of publication: 32515 - 32529
• a: 10.5561 ± 0.0008 Å
• b: 23.972 ± 0.002 Å
• c: 13.3418 ± 0.0011 Å
• α: 90°
• β: 92.033 ± 0.002°
• γ: 90°
• Cell volume: 3374 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1308
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1905
• Weighted residual factors for all reflections included in the refinement: 0.2298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No