Information card for entry 7112794

Structure parameters

• Formula: C27 H18 F3 N3 O3
• Calculated formula: C27 H18 F3 N3 O3
• SMILES: O=C(c1cc(cc(c1)C(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1)Nc1ccc(F)cc1
• Title of publication: Assembling triple helical amide-to-amide hydrogen bonded columns of tris(4-halophenyl)benzene-1,3,5-tricarboxamides into porous materials via halogen...halogen interactions.
• Authors of publication: Rajput, Lalit; Chernyshev, Vladimir V.; Biradha, Kumar
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 35
• Pages of publication: 6530 - 6532
• a: 7.1319 ± 0.0003 Å
• b: 25.1912 ± 0.0012 Å
• c: 25.679 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4613.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1268
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No