Information card for entry 2010450

Structure parameters

• Formula: C11 H11 F O
• Calculated formula: C11 H11 F O
• SMILES: Fc1ccc2c(c1)CC(C2=O)(C)C
• 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: 13.992 ± 0.001 Å
• b: 6.962 ± 0.001 Å
• c: 9.788 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 953.47 ± 0.18 ų
• Cell temperature: 296 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.055
• Goodness-of-fit parameter for significantly intense reflections: 2.152
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No