Information card for entry 2001629

Structure parameters

• Formula: C22 H27 F O
• Calculated formula: C22 H27 F O
• SMILES: Fc1ccc(cc1)/C=C/c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
• Title of publication: Non-steroidal anti-inflammatory drugs. II. Structure of (<i>E</i>)-2,6-di-<i>tert</i>-butyl-4-[2-(4-fluorophenyl)ethenyl]phenol
• Authors of publication: Ravikumar, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 6
• Pages of publication: 1180 - 1182
• a: 11.941 ± 0.001 Å
• b: 18.423 ± 0.002 Å
• c: 8.791 ± 0.001 Å
• α: 90°
• β: 90.49 ± 0.02°
• γ: 90°
• Cell volume: 1933.9 ± 0.3 ų
• Cell temperature: 294 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.049
• Goodness-of-fit parameter for significantly intense reflections: 1.02
• Diffraction radiation wavelength: 0.71063 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No