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Information card for entry 1577476
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| Coordinates | Coordinates are not available: file is not found. |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2,9-Dimethylphenanthro[2,1-<i>b</i>:6,5-<i>b</i>']dithiophene |
|---|---|
| Formula | C20 H14 S2 |
| Calculated formula | C20 H14 S2 |
| Title of publication | 2,9-Di-methyl-phenanthro[2,1-<i>b</i>:6,5-<i>b</i>']di-thio-phene. |
| Authors of publication | Moriguchi, Tetsuji; Sasaki, Misa; Miyoshi, Noriko |
| Journal of publication | IUCrData |
| Year of publication | 2026 |
| Journal volume | 11 |
| Journal issue | Pt 7 |
| Pages of publication | x260700 |
| a | 6.5043 ± 0.0017 Å |
| b | 13.456 ± 0.003 Å |
| c | 17.082 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1495 ± 0.6 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90.2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0287 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.0636 |
| Weighted residual factors for all reflections included in the refinement | 0.0647 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0818 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306805 (current) | 2026-08-29 | cif/ Adding structures of 1577476 via cif-deposit CGI script. |
1577476.cif |
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