Information card for entry 2232014

Structure parameters

• Chemical name: 1-(2,4,6-Triisopropylphenyl)ethanone
• Formula: C17 H26 O
• Calculated formula: C17 H26 O
• SMILES: CC(c1cc(cc(c1C(=O)C)C(C)C)C(C)C)C
• Title of publication: 1-(2,4,6-Triisopropylphenyl)ethanone
• Authors of publication: Blair, Amber D.; Hendsbee, Arthur D.; Masuda, Jason D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2731
• a: 5.859 ± 0.0012 Å
• b: 20.248 ± 0.004 Å
• c: 13.148 ± 0.003 Å
• α: 90°
• β: 92.568 ± 0.002°
• γ: 90°
• Cell volume: 1558.2 ± 0.6 ų
• Cell temperature: 129 ± 2 K
• Ambient diffraction temperature: 129 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes