Information card for entry 2239731

Structure parameters

• Chemical name: 6-Fluoroindan-1-one
• Formula: C9 H7 F O
• Calculated formula: C9 H7 F O
• Title of publication: 6-Fluoroindan-1-one
• Authors of publication: Slaw, Benjamin R.; Tanski, Joseph M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: o841
• a: 7.19 ± 0.0004 Å
• b: 12.4811 ± 0.0006 Å
• c: 15.8685 ± 0.0008 Å
• α: 90°
• β: 99.453 ± 0.001°
• γ: 90°
• Cell volume: 1404.69 ± 0.13 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 4
• 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: 0.0555
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes