Information card for entry 2209689

Structure parameters

• Chemical name: 4'-Fluorochalcone
• Formula: C15 H11 F O
• Calculated formula: C15 H11 F O
• SMILES: Fc1ccc(cc1)C(=O)/C=C/c1ccccc1
• Title of publication: 4'-Fluorochalcone
• Authors of publication: Shea-Lin Ng; Ibrahim Abdul Razak; Hoong-Kun Fun; P. S. Patil; S. M. Dharmaprakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2897 - o2899
• a: 5.8391 ± 0.0002 Å
• b: 7.4435 ± 0.0003 Å
• c: 13.0358 ± 0.0005 Å
• α: 96.592 ± 0.002°
• β: 93.947 ± 0.002°
• γ: 93.593 ± 0.002°
• Cell volume: 560.07 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 2 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 all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes