Information card for entry 4300051

Structure parameters

• Formula: C36 H54 N8
• Calculated formula: C36 H54 N8
• SMILES: N12CCNCc3cccc(c3)CNCCN(CCNCc3cccc(CNCC1)c3)CCNCc1cccc(CNCC2)c1
• Title of publication: Binding Properties of Octaaminocryptands
• Authors of publication: Françoise Arnaud-Neu; Saowarux Fuangswasdi; Beatrice Maubert; Jane Nelson; Vickie McKee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 573 - 579
• a: 9.517 ± 0.001 Å
• b: 15.584 ± 0.002 Å
• c: 23.617 ± 0.004 Å
• α: 90.73 ± 0.01°
• β: 90.94 ± 0.01°
• γ: 90.746 ± 0.007°
• Cell volume: 3501.6 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0965
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1169
• 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