Information card for entry 4120707

Structure parameters

• Formula: C16 H23 Cl Ho O3 P
• Calculated formula: C16 H23 Cl Ho O3 P
• SMILES: [Ho]12345678(Cl)([O]=P(OCC)(OCC)C=C)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
• 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: 20.7465 ± 0.0006 Å
• b: 11.7265 ± 0.0004 Å
• c: 7.8125 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1900.65 ± 0.11 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0145
• Residual factor for significantly intense reflections: 0.0144
• Weighted residual factors for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections included in the refinement: 0.0369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No