Information card for entry 7063272

Structure parameters

• Formula: C63 H107.65 N7 O18.82
• Calculated formula: C63 H107.652 N7 O18.826
• Title of publication: A water-soluble aza-adamantyl nitroxide radical and its complexes with β-cyclodextrin derivatives
• Authors of publication: Zhao, Yani; Duan, Ran; Guo, Weijie; Lyu, Lele; Liu, Xiaoyu; Jiang, Hua; Wang, Ying
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 28
• Pages of publication: 12681 - 12687
• a: 6.6374 ± 0.0001 Å
• b: 16.583 ± 0.0003 Å
• c: 28.8082 ± 0.0004 Å
• α: 101.756 ± 0.001°
• β: 90.918 ± 0.001°
• γ: 90.584 ± 0.002°
• Cell volume: 3103.66 ± 0.09 ų
• Cell temperature: 100 ± 0.13 K
• Ambient diffraction temperature: 100 ± 0.13 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: 0.0581
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No