Information card for entry 7703505

Structure parameters

• Formula: C52 H72 N8
• Calculated formula: C52 H72 N8
• Title of publication: Inclusion of alkyl nitriles by tetra-armed cyclens with styrylmethyl groups.
• Authors of publication: Ju, Huiyeong; Tenma, Honoka; Iwase, Miki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 3112 - 3119
• a: 17.703 ± 0.002 Å
• b: 17.703 ± 0.002 Å
• c: 14.619 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4581.5 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 81
• Hermann-Mauguin space group symbol: P -4
• Hall space group symbol: P -4
• Residual factor for all reflections: 0.2344
• Residual factor for significantly intense reflections: 0.099
• Weighted residual factors for significantly intense reflections: 0.2147
• Weighted residual factors for all reflections included in the refinement: 0.2843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No