Information card for entry 2201994

Structure parameters

• Common name: fenofibrate
• Chemical name: 1-methylethyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
• Formula: C20 H21 Cl O4
• Calculated formula: C20 H21 Cl O4
• SMILES: Clc1ccc(C(=O)c2ccc(OC(C(=O)OC(C)C)(C)C)cc2)cc1
• Title of publication: Fenofibrate
• Authors of publication: R. F. Henry; G. Z. Zhang; Y. Gao; I. S . Buckner
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o699 - o700
• a: 8.1605 ± 0.0016 Å
• b: 8.2664 ± 0.0016 Å
• c: 14.511 ± 0.003 Å
• α: 93.951 ± 0.003°
• β: 105.664 ± 0.003°
• γ: 96.002 ± 0.003°
• Cell volume: 932.5 ± 0.3 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.0564
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes