Information card for entry 4131572

Structure parameters

• Formula: C70 H62 Br2 F24 N8 P4
• Calculated formula: C70 H62 Br2 F24 N8 P4
• 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: 11.0874 ± 0.0005 Å
• b: 17.363 ± 0.0007 Å
• c: 18.0711 ± 0.0008 Å
• α: 90°
• β: 97.398 ± 0.003°
• γ: 90°
• Cell volume: 3449.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.2042
• Weighted residual factors for all reflections included in the refinement: 0.2137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No