Information card for entry 4110121

Structure parameters

• Formula: C23 H17 B F2 N2 O2
• Calculated formula: C23 H17 B F2 N2 O2
• SMILES: [B]1(F)(F)OC(=CC(=[O]1)c1[nH]c(cc1)c1ccccc1)c1[nH]c(c2ccccc2)cc1
• 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: 11.515 ± 0.004 Å
• b: 13.02 ± 0.005 Å
• c: 12.428 ± 0.004 Å
• α: 90°
• β: 98.304 ± 0.013°
• γ: 90°
• Cell volume: 1843.7 ± 1.1 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: 0.0464
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No