Information card for entry 2238909

Structure parameters

• Common name: phloroglucinol tribenzoate
• Chemical name: Benzene-1,3,5-triyl tribenzoate
• Formula: C27 H18 O6
• Calculated formula: C27 H18 O6
• Title of publication: Benzene-1,3,5-triyl tribenzoate
• Authors of publication: Corfield, Peter W. R.; Balija, Amy M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1822 - o1823
• a: 23.128 ± 0.005 Å
• b: 6.332 ± 0.002 Å
• c: 15.03 ± 0.003 Å
• α: 90°
• β: 103.22 ± 0.02°
• γ: 90°
• Cell volume: 2142.8 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1164
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No