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Information card for entry 1548667
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| Coordinates | 1548667.cif |
|---|---|
| Structure factors | 1548667.hkl |
| Original IUCr paper | HTML |
| Chemical name | (1<i>E</i>,4<i>E</i>)-1,5-Bis(2,6-dichlorophenyl)penta-1,4-dien-3-one |
|---|---|
| Formula | C17 H10 Cl4 O |
| Calculated formula | C17 H10 Cl4 O |
| Title of publication | (1<i>E</i>,4<i>E</i>)-1,5-Bis(2,6-dichlorophenyl)penta-1,4-dien-3-one |
| Authors of publication | Dravida Thendral, Era; Mohamooda Sumaya, U.; Gomathi, S.; Biruntha, K.; Usha, G. |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 1 |
| Pages of publication | x171822 |
| a | 28.1477 ± 0.0008 Å |
| b | 17.3385 ± 0.0007 Å |
| c | 26.1837 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12778.7 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0637 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.0752 |
| Weighted residual factors for all reflections included in the refinement | 0.0854 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205175 (current) | 2018-01-13 | cif/ hkl/ Adding structures of 1548667 via cif-deposit CGI script. |
1548667.cif 1548667.hkl |
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Users of the data should acknowledge the original authors of the
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