Information card for entry 1554157

Structure parameters

• Formula: C27 H39 Y
• Calculated formula: C27 H39 Y
• SMILES: C[c]12[c]3([Y]456789%10%11%12%131([cH]3[c]8([c]2%11C)C)([cH]1[c]4([c]6([c]%12([c]91C)C)C)C)[cH]1[c]5([c]7([c]%13([c]%101C)C)C)C)C
• Title of publication: Ligand Induced Steric Crowding in Rare Earth Metal-Mediated Group Transfer Polymerization of Vinylphosphonates: Does Enthalpy Matter?
• Authors of publication: Soller, Benedikt S.; Sun, Qian; Salzinger, Stephan; Jandl, Christian; Pöthig, Alexander; Rieger, Bernhard
• Journal of publication: Macromolecules
• Year of publication: 2016
• Journal volume: 49
• Journal issue: 5
• Pages of publication: 1582
• a: 15.5307 ± 0.0005 Å
• b: 15.5307 ± 0.0005 Å
• c: 16.582 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3463.77 ± 0.19 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No