Information card for entry 7106625

Structure parameters

• Formula: C45 H43 B F2 N4 O10
• Calculated formula: C45 H43 B F2 N4 O10
• 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: 22.3431 ± 0.0004 Å
• b: 21.4597 ± 0.0004 Å
• c: 24.7703 ± 0.0005 Å
• α: 90°
• β: 105.666 ± 0.0008°
• γ: 90°
• Cell volume: 11435.6 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1914
• Residual factor for significantly intense reflections: 0.1076
• Weighted residual factors for significantly intense reflections: 0.2759
• Weighted residual factors for all reflections included in the refinement: 0.3318
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuK?
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No