Information card for entry 7112792

Structure parameters

• Formula: C33 H30 Br3 N3 O4.5
• Calculated formula: C33 H30 Br3 N3 O4.5
• 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: 21.9892 ± 0.0018 Å
• b: 21.9892 ± 0.0018 Å
• c: 7.3478 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3076.9 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor R(I) for significantly intense reflections: 0.0667
• Goodness-of-fit parameter for all reflections: 1.888
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54059 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No