Information card for entry 1554171

Structure parameters

• Formula: C76 H86 N3 O3 Y3
• Calculated formula: C76 H86 N3 O3 Y3
• SMILES: c1(cc(cc(c1)c1cc2[n](c(c1)C)[Y]([O]1CCCC1)C2)c1cc2[n]([Y](C2)[O]2CCCC2)c(c1)C)c1cc2C[Y]3456([n]2c(c1)C)([O]1CCCC1)[cH]1[cH]3[cH]4[cH]5[cH]61.c1(ccccc1)C
• Title of publication: Core-First Synthesis of Three-Armed Star-Shaped Polymers by Rare Earth Metal-Mediated Group Transfer Polymerization
• Authors of publication: Pahl, Philipp; Schwarzenböck, Christina; Herz, Fabian A. D.; Soller, Benedikt S.; Jandl, Christian; Rieger, Bernhard
• Journal of publication: Macromolecules
• Year of publication: 2017
• Journal volume: 50
• Journal issue: 17
• Pages of publication: 6569
• a: 7.9941 ± 0.0004 Å
• b: 19.5986 ± 0.001 Å
• c: 23.2344 ± 0.0012 Å
• α: 78.1666 ± 0.0018°
• β: 89.6646 ± 0.0017°
• γ: 88.2859 ± 0.0018°
• Cell volume: 3561.3 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No