Information card for entry 1507366

Structure parameters

• Formula: C170 H248 N2 O10
• Calculated formula: C170 H248 N2 O10
• Title of publication: Inclusion networks of a calix[5]arene-based exoditopic receptor and long-chain alkyldiammonium ions.
• Authors of publication: Garozzo, Domenico; Gattuso, Giuseppe; Kohnke, Franz H.; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia; White, Andrew J. P.; Williams, David J.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 22
• Pages of publication: 4025 - 4028
• a: 14.499 ± 0.0007 Å
• b: 22.921 ± 0.002 Å
• c: 23.901 ± 0.002 Å
• α: 84.963 ± 0.007°
• β: 87.541 ± 0.008°
• γ: 86.321 ± 0.006°
• Cell volume: 7890.5 ± 1 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.1414
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for all reflections: 0.2522
• Weighted residual factors for significantly intense reflections: 0.2007
• Goodness-of-fit parameter for all reflections: 1.046
• Goodness-of-fit parameter for significantly intense reflections: 1.157
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No