Information card for entry 1572857

Structure parameters

• Formula: C31 H41 Br3 N2 Ni O2
• Calculated formula: C31 H41 Br3 N2 Ni O2
• Title of publication: Nickel-Catalyzed Direct Synthesis of Hyperbranched Liquid Oligoethylene
• Authors of publication: Zhang, Mengyao; Dai, Shengyu
• Journal of publication: Polymer Chemistry
• Year of publication: 2024
• a: 18.9221 ± 0.0002 Å
• b: 18.1077 ± 0.0002 Å
• c: 21.0075 ± 0.0003 Å
• α: 90°
• β: 105.814 ± 0.001°
• γ: 90°
• Cell volume: 6925.49 ± 0.15 ų
• Cell temperature: 296.93 ± 0.1 K
• Ambient diffraction temperature: 296.93 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0508
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No