Information card for entry 7222366

Structure parameters

• Formula: C94.8 H137.2 N O23.8
• Calculated formula: C86 H124 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: 22.92 ± 0.01 Å
• b: 23.62 ± 0.01 Å
• c: 36.17 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19581 ± 16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P c a n
• Hall space group symbol: -P 2n 2c
• Residual factor for all reflections: 0.1537
• Residual factor for significantly intense reflections: 0.1118
• Weighted residual factors for significantly intense reflections: 0.2035
• Weighted residual factors for all reflections included in the refinement: 0.2162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.9 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No