Information card for entry 7214087

Structure parameters

• Formula: C336 H508 N4 O28
• Calculated formula: C336 H508 N4 O28
• Title of publication: Hydrogen bond-assisted solid-state formation of a salt-bridged calix[5]arene pseudo-dimer
• Authors of publication: Brancatelli, Giovanna; Pappalardo, Sebastiano; Gattuso, Giuseppe; Notti, Anna; Pisagatti, Ilenia; Parisi, Melchiorre F.; Geremia, Silvano
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 89
• a: 21.54 ± 0.02 Å
• b: 25.71 ± 0.015 Å
• c: 31.95 ± 0.01 Å
• α: 90.92 ± 0.04°
• β: 88.87 ± 0.02°
• γ: 74.53 ± 0.02°
• Cell volume: 17045 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1352
• Residual factor for significantly intense reflections: 0.1276
• Weighted residual factors for significantly intense reflections: 0.3302
• Weighted residual factors for all reflections included in the refinement: 0.3342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.77491 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No