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Information card for entry 2008934
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| Coordinates | 2008934.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Bis{4,4'-[di-(2-carbomethoxy-5-thienyl)]} phenyl ether |
|---|---|
| Formula | C24 H18 O5 S2 |
| Calculated formula | C24 H18 O5 S2 |
| SMILES | COC(=O)c1ccc(s1)c1ccc(cc1)Oc1ccc(cc1)c1ccc(s1)C(=O)OC |
| Title of publication | Bis[4-(2-methoxycarbonyl-5-thienyl)]phenyl ether |
| Authors of publication | S.Shanmuga Sundara Raj; Hoong-Kun Fun; Susmita Gupta; Jayanta Kumar Ray |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 9 |
| Pages of publication | 1517 - 1519 |
| a | 7.3785 ± 0.0002 Å |
| b | 47.9241 ± 0.001 Å |
| c | 5.9069 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2088.73 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 41 |
| Hermann-Mauguin space group symbol | A b a 2 |
| Hall space group symbol | A 2 -2ab |
| Residual factor for all reflections | 0.0369 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for all reflections included in the refinement | 0.0952 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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