Information card for entry 2208813

Structure parameters

• Common name: Dipropiodurene
• Chemical name: 1,1'-(2,3,5,6-tetramethyl-p-phenylene)dipropan-1-one or 2,3,5,6-tetramethyl-1,4-dipropiophenone
• Formula: C16 H22 O2
• Calculated formula: C16 H22 O2
• SMILES: CCC(=O)c1c(C)c(C)c(c(c1C)C)C(=O)CC
• Title of publication: Dipropiodurene
• Authors of publication: Pinkus, A. G.; Klausmeyer, Kevin K.; Carson, Cody E.; Custard, Herman C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1854 - o1855
• a: 8.6268 ± 0.0014 Å
• b: 7.682 ± 0.003 Å
• c: 21.034 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1393.9 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes