Information card for entry 1505136

Structure parameters

• Formula: C35 H43 N O3
• Calculated formula: C35 H43 N O3
• SMILES: N(OC(COC(=O)c1ccccc1)c1ccccc1)(C12CC3CC(CC(C1)C3)C2)C12CC3CC(CC(C1)C3)C2
• Title of publication: Synthesis and Evaluation of Sterically Hindered 1,1-Diadamantyl Nitroxide as a Low-Temperature Mediator for the Stable Free Radical Polymerization Process
• Authors of publication: Debuigne, Antoine; Chan-Seng, Delphine; Li, Lichun; Hamer, Gordon K.; Georges, Michael K.
• Journal of publication: Macromolecules
• Year of publication: 2007
• Journal volume: 40
• Journal issue: 17
• Pages of publication: 6224
• a: 6.3916 ± 0.0003 Å
• b: 14.6153 ± 0.0009 Å
• c: 15.2826 ± 0.0008 Å
• α: 75.722 ± 0.003°
• β: 84.056 ± 0.003°
• γ: 84.58 ± 0.003°
• Cell volume: 1372.57 ± 0.13 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1034
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No