Information card for entry 7123228

Structure parameters

• Formula: C38 H34 B2 Cl2 F4 N6 Pd
• Calculated formula: C38 H34 B2 Cl2 F4 N6 Pd
• Title of publication: A BODIPY-functionalized PdII photoredox catalyst for Sonogashira C-C cross-coupling reactions
• Authors of publication: Dissanayake, Komadhie; Ebukuyo, Peters; Dhahir, Yasser; Wheeler, Kraig; He, Hongshan
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 19.3737 ± 0.0004 Å
• b: 10.1392 ± 0.0002 Å
• c: 18.4928 ± 0.0004 Å
• α: 90°
• β: 90.309 ± 0.001°
• γ: 90°
• Cell volume: 3632.56 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No