Information card for entry 2220864

Structure parameters

• Chemical name: 3-(2,4-Dichlorophenyl)-1,5-di-2-furylpentane-1,5-dione
• Formula: C19 H14 Cl2 O4
• Calculated formula: C19 H14 Cl2 O4
• SMILES: Clc1ccc(c(c1)Cl)C(CC(=O)c1ccco1)CC(=O)c1ccco1
• Title of publication: 3-(2,4-Dichlorophenyl)-1,5-di-2-furylpentane-1,5-dione
• Authors of publication: Fun, Hoong-Kun; Kia, Reza; Patil, P. S.; Dharmaprakash, S. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o336 - o337
• a: 9.9116 ± 0.0001 Å
• b: 17.748 ± 0.0003 Å
• c: 10.1173 ± 0.0002 Å
• α: 90°
• β: 107.612 ± 0.001°
• γ: 90°
• Cell volume: 1696.32 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0586
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes