Information card for entry 4110122

Structure parameters

• Formula: C25 H21 B F2 N2 O2
• Calculated formula: C25 H21 B F2 N2 O2
• Title of publication: Aryl-Substituted C3-Bridged Oligopyrroles as Anion Receptors for Formation of Supramolecular Organogels
• Authors of publication: Hiromitsu Maeda; Yohei Haketa; Takashi Nakanishi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 13661 - 13674
• a: 12.443 ± 0.006 Å
• b: 13.305 ± 0.005 Å
• c: 25.211 ± 0.009 Å
• α: 90°
• β: 102.175 ± 0.017°
• γ: 90°
• Cell volume: 4080 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.123
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1865
• Weighted residual factors for all reflections included in the refinement: 0.2475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No