Information card for entry 1575142

Structure parameters

• Formula: C30 H33 O6 P Pd
• Calculated formula: C30 H33 O6 P Pd
• Title of publication: Insights into the mechanism of active catalyst generation for the Pd^II(acac)₂/PPh₃ system in the context of telomerization of 1,3-butadiene.
• Authors of publication: Bouley, Bailey S.; Bae, Dae Young; Chakrabarti, Sagnik; Rosen, Mari; Kennedy, Robert D.; Mirica, Liviu M.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 34
• Pages of publication: 15486 - 15498
• a: 10.9495 ± 0.0004 Å
• b: 15.9935 ± 0.0006 Å
• c: 16.2962 ± 0.0006 Å
• α: 90°
• β: 99.235 ± 0.001°
• γ: 90°
• Cell volume: 2816.81 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No