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Information card for entry 1562181
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| Coordinates | 1562181.cif |
|---|---|
| Structure factors | 1562181.hkl |
| Original IUCr paper | HTML |
| Chemical name | 9-[3-(9<i>H</i>-Carbazol-9-yl)-5-iodophenyl]-9<i>H</i>-carbazole |
|---|---|
| Formula | C30 H19 I N2 |
| Calculated formula | C30 H19 I N2 |
| SMILES | c1(cc(cc(c1)n1c2ccccc2c2ccccc12)n1c2ccccc2c2ccccc12)I |
| Title of publication | 9-[3-(9<i>H</i>-Carbazol-9-yl)-5-iodophenyl]-9<i>H</i>-carbazole |
| Authors of publication | Yan, Dan |
| Journal of publication | IUCrData |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 4 |
| Pages of publication | x210428 |
| a | 9.5057 ± 0.0004 Å |
| b | 29.3757 ± 0.0017 Å |
| c | 16.5679 ± 0.0008 Å |
| α | 90° |
| β | 96.127 ± 0.002° |
| γ | 90° |
| Cell volume | 4599.9 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0526 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.0823 |
| Weighted residual factors for all reflections included in the refinement | 0.0879 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264620 (current) | 2021-04-28 | cif/ hkl/ Adding structures of 1562181 via cif-deposit CGI script. |
1562181.cif 1562181.hkl |
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