Information card for entry 2230860

Structure parameters

• Chemical name: 2-(4-Fluorophenyl)-3-methyl-1<i>H</i>-indole
• Formula: C15 H12 F N
• Calculated formula: C15 H12 F N
• SMILES: Fc1ccc(c2[nH]c3c(c2C)cccc3)cc1
• Title of publication: 2-(4-Fluorophenyl)-3-methyl-1<i>H</i>-indole
• Authors of publication: Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1606
• a: 7.79 ± 0.003 Å
• b: 17.125 ± 0.006 Å
• c: 8.811 ± 0.004 Å
• α: 90°
• β: 110.274 ± 0.009°
• γ: 90°
• Cell volume: 1102.6 ± 0.8 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1704
• Weighted residual factors for all reflections included in the refinement: 0.1947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes