Information card for entry 7222368

Structure parameters

• Formula: C89.1 H128.9 F3.9 K0.1 N O16.3
• Calculated formula: C86.5 H123 K0.1 N O15
• 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: 22.509 ± 0.001 Å
• b: 22.972 ± 0.002 Å
• c: 35.249 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18226 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1579
• Residual factor for significantly intense reflections: 0.1251
• Weighted residual factors for significantly intense reflections: 0.3275
• Weighted residual factors for all reflections included in the refinement: 0.3592
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.8 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No