Information card for entry 4120709

Structure parameters

• Formula: C21 H30 O3 P Y
• Calculated formula: C21 H30 O3 P Y
• SMILES: [Y]123456789%10%11%12([O]=P(OCC)(OCC)CC)([cH]%13[cH]1[cH]2[cH]3[cH]4%13)([cH]1[cH]5[cH]6[cH]7[cH]81)[cH]1[cH]%12[cH]%11[cH]%10[cH]91
• Title of publication: Mechanistic Studies on Initiation and Propagation of Rare Earth Metal-Mediated Group Transfer Polymerization of Vinylphosphonates
• Authors of publication: Stephan Salzinger; Benedikt S. Soller; Andriy Plikhta; Uwe B. Seemann; Eberhardt Herdtweck; Bernhard Rieger
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 13030 - 13040
• a: 11.5091 ± 0.0004 Å
• b: 8.2872 ± 0.0003 Å
• c: 22.6167 ± 0.0008 Å
• α: 90°
• β: 101.516 ± 0.002°
• γ: 90°
• Cell volume: 2113.72 ± 0.13 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 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: 0.0485
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No