Information card for entry 4131570

Structure parameters

• Formula: C80 H64 F42 N8 P7
• Calculated formula: C80 H64 F42 N8 P7
• SMILES: [n+]12ccc(cc1)c1cc[n+](cc1)Cc1ccc(cc1)C[n+]1cc3ccc4c[n+](cc5ccc(c1)c3c45)Cc1ccc(cc1)C2.[n+]12ccc(cc1)c1cc[n+](cc1)Cc1ccc(cc1)C[n+]1cc3ccc4c[n+](cc5ccc(c1)c3c45)Cc1ccc(cc1)C2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 13.3492 ± 0.0005 Å
• b: 27.9262 ± 0.0013 Å
• c: 31.5473 ± 0.0018 Å
• α: 73.377 ± 0.004°
• β: 89.81 ± 0.004°
• γ: 80.969 ± 0.003°
• Cell volume: 11118.6 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.03 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: 0.2088
• Residual factor for significantly intense reflections: 0.1428
• Weighted residual factors for significantly intense reflections: 0.3722
• Weighted residual factors for all reflections included in the refinement: 0.4038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No