Information card for entry 7106624

Structure parameters

• Formula: C90.5 H85 B2 F4 N8 O22.5
• Calculated formula: C90.5 H85 B2 F4 N8 O22.5
• Title of publication: Solvent-dependent supramolecular assemblies based on multiple noncovalent interactions such as hydrogen bonding and p-p stacking of p-conjugated anion-responsive acyclic oligopyrroles
• Authors of publication: Hiromitsu Maeda; Yoshitaka Terashima
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7620
• a: 10.755 ± 0.003 Å
• b: 16.694 ± 0.006 Å
• c: 23.83 ± 0.009 Å
• α: 91.432 ± 0.014°
• β: 99.301 ± 0.012°
• γ: 103.498 ± 0.011°
• Cell volume: 4097 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2325
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.2286
• Goodness-of-fit parameter for all reflections included in the refinement: 0.801
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No