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Information card for entry 1552940
Preview
| Coordinates | 1552940.cif |
|---|---|
| Structure factors | 1552940.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5,13-Bis(4-methoxyphenyl)dinaphtho[2,3-<i>b</i>:2',3'-<i>d</i>]thiophene <i>S</i>,<i>S</i>-dioxide dichloromethane hemisolvate |
|---|---|
| Formula | C69 H50 Cl2 O8 S2 |
| Calculated formula | C69 H50 Cl2 O8 S2 |
| Title of publication | 5,13-Bis(4-methoxyphenyl)dinaphtho[2,3-<i>b</i>:2',3'-<i>d</i>]thiophene <i>S</i>,<i>S</i>-dioxide dichloromethane hemisolvate |
| Authors of publication | Manickam, R.; Jagadeesan, G.; Rafiq, S. Muhamad; Mohanakrishnan, A. K.; Srinivasan, G. |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 11 |
| Pages of publication | x191394 |
| a | 13.7369 ± 0.0005 Å |
| b | 13.8077 ± 0.0005 Å |
| c | 16.4824 ± 0.0006 Å |
| α | 78.442 ± 0.002° |
| β | 68.211 ± 0.002° |
| γ | 80.216 ± 0.002° |
| Cell volume | 2828.35 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.1194 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.131 |
| Weighted residual factors for all reflections included in the refinement | 0.1685 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231082 (current) | 2019-11-20 | cif/ hkl/ Adding structures of 1552940 via cif-deposit CGI script. |
1552940.cif 1552940.hkl |
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Users of the data should acknowledge the original authors of the
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