Information card for entry 4023007

Structure parameters

• Formula: C22 H32 N8 O2
• Calculated formula: C22 H32 N8 O2
• SMILES: c1(C2=NN(C(=O)N(C(C)C)[N]2)C(C)C)ccc(cc1)C1=NN(C(=O)N(C(C)C)[N]1)C(C)C
• Title of publication: Probing Electronic Communication in Stable Benzene-Bridged Verdazyl Diradicals
• Authors of publication: Joe B. Gilroy; Steve D. J. McKinnon; Pierre Kennepohl; Mark S. Zsombor; Michael J. Ferguson; Laurence K. Thompson; Robin G. Hicks
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 8062 - 8069
• a: 26.76 ± 0.006 Å
• b: 5.9051 ± 0.0012 Å
• c: 16.435 ± 0.003 Å
• α: 90°
• β: 112.993 ± 0.003°
• γ: 90°
• Cell volume: 2390.7 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No