Information card for entry 4109522

Structure parameters

• Formula: C48 H58 N2
• Calculated formula: C48 H58 N2
• Title of publication: Triplet (S= 1) Ground State Aminyl Diradical
• Authors of publication: Andrzej Rajca; Kouichi Shiraishi; Maren Pink; Suchada Rajca
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 7232 - 7233
• a: 17.3964 ± 0.0008 Å
• b: 26.4065 ± 0.0012 Å
• c: 8.6732 ± 0.0002 Å
• α: 90°
• β: 103.518 ± 0.001°
• γ: 90°
• Cell volume: 3873.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.49594 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No