Information card for entry 1503146

Structure parameters

• Formula: C34 H51 F2 N4 O6
• Calculated formula: C34 H51 F2 N4 O6
• SMILES: Fc1c(OC2CC([N](=O)C(C2)(C)C)(C)C)c(C#N)c(OC2CC([N](=O)C(C2)(C)C)(C)C)c(F)c1OC1CC([N](=O)C(C1)(C)C)(C)C
• Title of publication: Synthesis of polynitroxides based on nucleophilic aromatic substitution.
• Authors of publication: Zeika, Olaf; Li, Yongjun; Jockusch, Steffen; Parkin, Gerard; Sattler, Aaron; Sattler, Wesley; Turro, Nicholas J.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 16
• Pages of publication: 3696 - 3699
• a: 11.595 ± 0.0019 Å
• b: 12.1153 ± 0.0019 Å
• c: 13.243 ± 0.002 Å
• α: 73.015 ± 0.002°
• β: 77.927 ± 0.002°
• γ: 74.042 ± 0.002°
• Cell volume: 1693.8 ± 0.5 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No