Information card for entry 7111188

Structure parameters

• Common name: 1,3,5-tris(4-hydroxyphenyl)benzene
• Chemical name: 1,3,5-tris(4-hydroxyphenyl)benzene
• Formula: C24 H18 O3
• Calculated formula: C24 H18 O3
• SMILES: c1c(cc(cc1c1ccc(cc1)O)c1ccc(cc1)O)c1ccc(cc1)O
• Title of publication: Unusually long cooperative chain of seven hydrogen bonds. An alternative packing type for symmetrical phenols
• Authors of publication: Thallapally, Praveen K.; Katz, Amy K.; Carrell, H. L.; Desiraju, Gautam R.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 4
• Pages of publication: 344
• a: 28.922 ± 0.002 Å
• b: 7.535 ± 0.003 Å
• c: 33.815 ± 0.007 Å
• α: 90 ± 0.03°
• β: 105.65 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 7096 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No