Information card for entry 7233391

Structure parameters

• Chemical name: Diethyl-(1-((1-((tert-butyldimethylsilyl)oxy)-2-methylpropan-2-yl) (1-(pyridin-2-yl)ethoxy)amino)-2,2-dimethylpropyl)phosphonate-k2NPy,OP=O- bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-k2O,O')zinc(II)]
• Formula: C36 H53 F12 N2 O9 P Si Zn
• Calculated formula: C36 H53 F12 N2 O9 P Si Zn
• Title of publication: How intramolecular coordination bonding (ICB) controls the homolysis of the C‒ON bond in alkoxyamines
• Authors of publication: Audran, Gérard; Bagryanskaya, Elena; Bagryanskaya, Irina; Edeleva, Mariya; Joly, Jean-Patrick; Marque, Sylvain R. A.; Iurchenkova, Anna; Kaletina, Polina; Cherkasov, Sergey; Hai, Tung To; Tretyakov, Evgeny; Zhivetyeva, Svetlana
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 44
• Pages of publication: 25776
• a: 11.3993 ± 0.0006 Å
• b: 13.6801 ± 0.0008 Å
• c: 16.1856 ± 0.0009 Å
• α: 96.668 ± 0.002°
• β: 94.471 ± 0.002°
• γ: 100.497 ± 0.002°
• Cell volume: 2452.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No