Information card for entry 4110124

Structure parameters

• Formula: C25 H21 B F2 N2 O2
• Calculated formula: C25 H21 B F2 N2 O2
• SMILES: F[B]1(F)OC(=CC(=[O]1)c1[nH]c(cc1)c1cc(ccc1)C)c1[nH]c(cc1)c1cc(ccc1)C
• 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: 11.57 ± 0.008 Å
• b: 13.387 ± 0.007 Å
• c: 12.969 ± 0.006 Å
• α: 90°
• β: 97.95 ± 0.02°
• γ: 90°
• Cell volume: 1989 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1119
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.2184
• Weighted residual factors for all reflections included in the refinement: 0.248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No