Information card for entry 1543231

Structure parameters

• Common name: 1,6-Diacetyl-2-isopropyl-4,7-dimethylnaphthalene
• Chemical name: 1-[6-Acetyl-4,7-dimethyl-2-(propan-2-yl)naphthalen-1-yl]ethanone
• Formula: C19 H22 O2
• Calculated formula: C19 H22 O2
• SMILES: c12c(cc(c(c1cc(c(c2)C(=O)C)C)C(=O)C)C(C)C)C
• Title of publication: 1,6-Diacetyl-2-isopropyl-4,7-dimethylnaphthalene
• Authors of publication: Benharref, Ahmed; Oukhrib, Abdelouhed; Ait Elhad, Mustapha; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 4
• Pages of publication: x160703
• a: 10.8316 ± 0.0014 Å
• b: 8.7542 ± 0.0011 Å
• c: 17.959 ± 0.002 Å
• α: 90°
• β: 106.322 ± 0.005°
• γ: 90°
• Cell volume: 1634.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0593
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes