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Information card for entry 7222454
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| Coordinates | 7222454.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (3,5-bis(4-chlorophenyl)thiophen-2-yl)(4-chlorophenyl)methanone |
|---|---|
| Formula | C23 H13 Cl3 O S |
| Calculated formula | C23 H13 Cl3 O S |
| SMILES | Clc1ccc(C(=O)c2sc(cc2c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 |
| Title of publication | A Direct Greener Route towards the Synthesis of 2-Aroyl-3,5-diarylthiophenes from 1,5-Diketones |
| Authors of publication | Chithiravel, Rengasamy; Rajaguru, Kandasamy; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 7.5101 ± 0.0018 Å |
| b | 9.387 ± 0.002 Å |
| c | 14.553 ± 0.004 Å |
| α | 97.563 ± 0.002° |
| β | 92.562 ± 0.002° |
| γ | 107.979 ± 0.002° |
| Cell volume | 963.4 ± 0.4 Å3 |
| Cell temperature | 110.15 K |
| Ambient diffraction temperature | 110.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0389 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0851 |
| Weighted residual factors for all reflections included in the refinement | 0.0878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 160993 (current) | 2015-10-08 | cif/ Adding structures of 7222454 via cif-deposit CGI script. |
7222454.cif |
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Users of the data should acknowledge the original authors of the
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