Information card for entry 7222367

Structure parameters

• Formula: C92.5 H134.25 F8.25 N O17.75
• Calculated formula: C92.5 H134.25 F8.25 N O17.75
• Title of publication: α,ω-Alkanediyldiammonium dications sealed within calix[5]arene capsules with a hydrophobic bayonet-mount fastening
• Authors of publication: Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 41
• Pages of publication: 7915
• a: 22.59 ± 0.01 Å
• b: 16.93 ± 0.01 Å
• c: 25.77 ± 0.02 Å
• α: 90°
• β: 92.54 ± 0.04°
• γ: 90°
• Cell volume: 9846 ± 11 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 446 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1462
• Residual factor for significantly intense reflections: 0.1187
• Weighted residual factors for significantly intense reflections: 0.3095
• Weighted residual factors for all reflections included in the refinement: 0.3476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.8856 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No