Information card for entry 2209521

Structure parameters

• Common name: 2-Methacryloxytropone
• Chemical name: 5-acetoxy-2-hydroxy-2,4,6-cycloheptatrien-1-one
• Formula: C9 H8 O4
• Calculated formula: C9 H8 O4
• SMILES: O=c1c(O)ccc(OC(=O)C)cc1
• Title of publication: 5-(Acetyloxy)tropolone
• Authors of publication: Kubo, Kanji; Yamamoto, Emi; Mori, Akira
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2988 - o2990
• a: 3.8076 ± 0.0012 Å
• b: 10.987 ± 0.003 Å
• c: 20.356 ± 0.006 Å
• α: 90°
• β: 93.576 ± 0.017°
• γ: 90°
• Cell volume: 849.9 ± 0.4 ų
• Cell temperature: 153.1 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 significantly intense reflections: 0.0386
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes