Information card for entry 2221120

Structure parameters

• Common name: para-Ethylphenol
• Chemical name: 4-Ethylphenol
• Formula: C8 H10 O
• Calculated formula: C8 H10 O
• SMILES: CCc1ccc(cc1)O
• Title of publication: 4-Ethylphenol
• Authors of publication: Betz, Richard; Klüfers, Peter; Mayer, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o544
• a: 5.9318 ± 0.0019 Å
• b: 16.514 ± 0.003 Å
• c: 22.574 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2211.3 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes