Information card for entry 4023008

Structure parameters

• Formula: C22 H32 N8 O2
• Calculated formula: C22 H32 N8 O2
• SMILES: O=C1[N](=NC(=NN1C(C)C)c1cc(ccc1)C1=NN(C(=O)[N](=N1)C(C)C)C(C)C)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: 25.546 ± 0.003 Å
• b: 9.3143 ± 0.0009 Å
• c: 21.518 ± 0.002 Å
• α: 90°
• β: 106.528 ± 0.002°
• γ: 90°
• Cell volume: 4908.6 ± 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: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No