Information card for entry 7233388

Structure parameters

• Chemical name: [Diethyl-(1-((2-amino-1-(pyridin-2-yl)ethoxy)(tert-butyl)amino)- 2,2-dimethylpropyl)phosphonate-2NPy,NNH2- bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-k2O,O')zinc(II)]
• Formula: C33 H42 F12 N3 O9 P Zn
• Calculated formula: C33 H42 F12 N3 O9 P 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: 12.4608 ± 0.0007 Å
• b: 16.0495 ± 0.0007 Å
• c: 22.7935 ± 0.0011 Å
• α: 90°
• β: 99.656 ± 0.002°
• γ: 90°
• Cell volume: 4493.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0805
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No