Information card for entry 7117458

Structure parameters

• Chemical name: 1,3,5-tris(4-carboxyphenyl)benzene
• Formula: C27 H18 O6
• Calculated formula: C27 H18 O6
• Title of publication: High surface area and Z' in a thermally stable 8-fold polycatenated hydrogen-bonded framework.
• Authors of publication: Zentner, Cassandra A.; Lai, Holden W. H.; Greenfield, Joshua T.; Wiscons, Ren A.; Zeller, Matthias; Campana, Charles F.; Talu, Orhan; FitzGerald, Stephen A.; Rowsell, Jesse L. C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 58
• Pages of publication: 11642 - 11645
• a: 31.1904 ± 0.0016 Å
• b: 31.2132 ± 0.0014 Å
• c: 51.976 ± 0.003 Å
• α: 72.71 ± 0.004°
• β: 77.555 ± 0.003°
• γ: 60.912 ± 0.003°
• Cell volume: 42068 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1237
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.1766
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No