Information card for entry 2010449

Structure parameters

• Formula: C9 H7 F O
• Calculated formula: C9 H7 F O
• SMILES: Fc1ccc2c(c1)CCC2=O
• Title of publication: 5-Fluoro-1-indanone and 2,2-Dimethyl-5-fluoro-1-indanone
• Authors of publication: Garcia, J. G.; Enas, J. D.; VanBrocklin, H. F.; Fronczek, F. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 2
• Pages of publication: 301 - 304
• a: 6.6219 ± 0.0003 Å
• b: 9.4738 ± 0.0013 Å
• c: 12.462 ± 0.002 Å
• α: 96.475 ± 0.011°
• β: 93.022 ± 0.007°
• γ: 107.315 ± 0.008°
• Cell volume: 738.53 ± 0.16 ų
• Cell temperature: 297 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.076
• Goodness-of-fit parameter for significantly intense reflections: 4.462
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No