Information card for entry 7703501

Structure parameters

• Formula: C44 H52 N4
• Calculated formula: C44 H52 N4
• 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: 8.1561 ± 0.0004 Å
• b: 9.8581 ± 0.0005 Å
• c: 12.6906 ± 0.0007 Å
• α: 67.214 ± 0.001°
• β: 81.507 ± 0.001°
• γ: 80.456 ± 0.001°
• Cell volume: 923.8 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No