Information card for entry 7204893

Structure parameters

• Formula: C92 H157 N5 O13
• Calculated formula: C92.04 H157.09 N5.01 O13.01
• Title of publication: X-ray diffraction and 13C solid-state NMR studies of the solvate of tetra(C-undecyl)calix[4]resorcinarene with dimethylacetamide
• Authors of publication: Kuzmicz, Rafal; Dobrzycki, Lukasz; Wozniak, Krzysztof; Benevelli, Francesca; Klinowski, Jacek; Kolodziejski, Waclaw
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 11
• Pages of publication: 2387 - 2391
• a: 9.773 ± 0.002 Å
• b: 17.05 ± 0.003 Å
• c: 27.745 ± 0.006 Å
• α: 78.31 ± 0.03°
• β: 89.92 ± 0.03°
• γ: 77.1 ± 0.03°
• Cell volume: 4408.3 ± 1.7 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 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 all reflections: 0.1687
• Residual factor for significantly intense reflections: 0.1171
• Weighted residual factors for significantly intense reflections: 0.2888
• Weighted residual factors for all reflections included in the refinement: 0.3412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No