Information card for entry 4131571

Structure parameters

• Formula: C88 H82 F42 N14 P7
• Calculated formula: C88 H82 F42 N14 P7
• Title of publication: Mechanical-Bond-Protected, Air-Stable Radicals.
• Authors of publication: Sun, Junling; Liu, Zhichang; Liu, Wei-Guang; Wu, Yilei; Wang, Yuping; Barnes, Jonathan C.; Hermann, Keith R.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 36
• Pages of publication: 12704 - 12709
• a: 13.4859 ± 0.0007 Å
• b: 16.4625 ± 0.0008 Å
• c: 22.4987 ± 0.0011 Å
• α: 86.055 ± 0.002°
• β: 88.919 ± 0.002°
• γ: 82.503 ± 0.002°
• Cell volume: 4940.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 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: 0.0925
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.2255
• Weighted residual factors for all reflections included in the refinement: 0.2347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No