Information card for entry 7129544

Structure parameters

• Formula: C18 H23 N2 O2
• Calculated formula: C18 H23 N2 O2
• Title of publication: Rotaxane-branched Radical Dendrimers with TEMPO Termini
• Authors of publication: Peng, Zhiyong; Xu, Xiao-Qin; Wang, Xu-Qing; Shi, Xueliang; Wang, Wei; Yang, Hai-Bo
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 10.7806 ± 0.0002 Å
• b: 10.9499 ± 0.0002 Å
• c: 14.5775 ± 0.0002 Å
• α: 90°
• β: 102.964 ± 0.001°
• γ: 90°
• Cell volume: 1676.96 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0401
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No