Information card for entry 2001415

Structure parameters

• Chemical name: 1,3,5-Triacetyltriphenylbenzene
• Formula: C30 H24 O3
• Calculated formula: C30 H24 O3
• SMILES: CC(=O)c1c(c2ccccc2)c(C(=O)C)c(c(c1c1ccccc1)C(=O)C)c1ccccc1
• Title of publication: 1,3,5-Triacetyl-2,4,6-triphenylbenzene: a sterically hindered molecule
• Authors of publication: Booth, B. L.; Pritchard, R. G.; Taylor-Gomes, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 9
• Pages of publication: 1696 - 1698
• a: 10.368 ± 0.002 Å
• b: 15.595 ± 0.003 Å
• c: 7.47 ± 0.002 Å
• α: 101.65 ± 0.01°
• β: 97.74 ± 0.02°
• γ: 78.94 ± 0.02°
• Cell volume: 1155.2 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0495
• Goodness-of-fit parameter for significantly intense reflections: 1.688
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No