Information card for entry 4060201

Structure parameters

• Formula: C31 H29 N4 O2
• Calculated formula: C31 H29 N4 O2
• Title of publication: A Stable Radical-Substituted Radical Cation with Strongly Ferromagnetic Interaction: Nitronyl Nitroxide-Substituted 5,10-Diphenyl-5,10-dihydrophenazine Radical Cation
• Authors of publication: Shinsuke Hiraoka; Toshihiro Okamoto; Masatoshi Kozaki; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Keiji Okada
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 58 - 59
• a: 37.16 ± 0.02 Å
• b: 6.127 ± 0.002 Å
• c: 24.091 ± 0.009 Å
• α: 90°
• β: 111.392 ± 0.007°
• γ: 90°
• Cell volume: 5106.8 ± 3.2 ų
• Cell temperature: 113.1 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 significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No