Information card for entry 7101675

Structure parameters

• Formula: C44 H78 N14 O8
• Calculated formula: C44 H78 N14 O8
• SMILES: C1CN(CCN(CCN(CCN1CC1=N(=O)C(C([N]1=O)(C)C)(C)C)CC1=N(C(C([N]1=O)(C)C)(C)C)=O)CC1=N(=O)C(C([N]1=O)(C)C)(C)C)CC1=N(=O)C(C([N]1=O)(C)C)(C)C.N#CC.N#CC
• Title of publication: Magnetic exchange coupling tunable by means of selective cation binding into poly(radical-armed) azacrowns.
• Authors of publication: Igarashi, Kazuki; Nogami, Takashi; Ishida, Takayuki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 5
• Pages of publication: 501 - 503
• a: 10.395 ± 0.004 Å
• b: 10.988 ± 0.004 Å
• c: 11.511 ± 0.005 Å
• α: 73.43 ± 0.03°
• β: 78.5 ± 0.03°
• γ: 82.51 ± 0.03°
• Cell volume: 1231.1 ± 0.8 ų
• Cell temperature: 100 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: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No