Information card for entry 7112791

Structure parameters

• Formula: C35 H34 I3 N3 O5
• Calculated formula: C27 H18 I3 N3 O3
• 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: 22.5852 ± 0.0004 Å
• b: 22.5852 ± 0.0004 Å
• c: 7.5192 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3321.62 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.184
• Weighted residual factors for all reflections included in the refinement: 0.1928
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No