Information card for entry 2239282

Structure parameters

• Chemical name: 3-Acetyl-2-fluoro-6<i>H</i>-benzo[<i>c</i>]chromen-6-one
• Formula: C15 H9 F O3
• Calculated formula: C15 H9 F O3
• SMILES: CC(=O)c1cc2OC(=O)c3c(c2cc1F)cccc3
• Title of publication: 3-Acetyl-2-fluoro-6<i>H</i>-benzo[<i>c</i>]chromen-6-one
• Authors of publication: Ishikawa, Yoshinobu; Suzuki, Takafumi; Yoshida, Nanako
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o470 - o471
• a: 26.005 ± 0.019 Å
• b: 13.169 ± 0.004 Å
• c: 13.297 ± 0.008 Å
• α: 90°
• β: 98.02 ± 0.06°
• γ: 90°
• Cell volume: 4509 ± 5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes