Information card for entry 7217766

Structure parameters

• Formula: C58 H56 N4 O6
• Calculated formula: C58 H56 N4 O6
• Title of publication: Electronic structure of tetraaza[1.1.1.1]o,p,o,p-cyclophane and its oxidized states
• Authors of publication: ITO, AKIHIRO; Matsumoto, Takashi; Tanaka, Kazuyoshi; Sakamaki, Daisuke
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 11.879 ± 0.005 Å
• b: 13.771 ± 0.005 Å
• c: 15.511 ± 0.006 Å
• α: 99.018 ± 0.005°
• β: 108.092 ± 0.005°
• γ: 90.316 ± 0.003°
• Cell volume: 2378.1 ± 1.6 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No