Information card for entry 1569360

Structure parameters

• Formula: C50 H42 N2 O2 Pd
• Calculated formula: C50 H42 N2 O2 Pd
• Title of publication: Palladium-catalyzed polar solvent empowered synthesis of hyper-branched ethylene oligomers and their applications
• Authors of publication: Birajdar, Rajkumar S.; Gonnade, Rajesh G.; Pol, Harshawardhan V.; Prabhu M., Basava; Rokade, Dhammaraj; Nandimath, Sheetal; Chikkali, Samir H.
• Journal of publication: Polymer Chemistry
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 27
• Pages of publication: 3239 - 3251
• a: 12.6742 ± 0.0003 Å
• b: 20.3077 ± 0.0006 Å
• c: 15.1446 ± 0.0004 Å
• α: 90°
• β: 94.37 ± 0.001°
• γ: 90°
• Cell volume: 3886.64 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0391
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No