Information card for entry 4110123

Structure parameters

• Formula: C55 H52 B2 Cl2 F4 N4 O4
• Calculated formula: C55 H52 B2 Cl2 F4 N4 O4
• SMILES: ClCCl.F[B]1(F)[O]=C(c2[nH]c(cc2)c2c(cccc2C)C)C=C(O1)c1[nH]c(cc1)c1c(cccc1C)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: 14.768 ± 0.006 Å
• b: 12.991 ± 0.005 Å
• c: 26.114 ± 0.01 Å
• α: 90°
• β: 101.722 ± 0.015°
• γ: 90°
• Cell volume: 4906 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1529
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.2129
• Weighted residual factors for all reflections included in the refinement: 0.2675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No