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Information card for entry 7230484
Preview
| Coordinates | 7230484.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H26 N4 |
|---|---|
| Calculated formula | C36 H26 N4 |
| Title of publication | Conformationally-restricted bicarbazoles with phenylene bridges displaying deep-blue emission and high triplet energies: systematic structure-property relationships. |
| Authors of publication | Wright, Iain A.; Al-Attar, Hameed A; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R. |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 17 |
| Pages of publication | 11867 - 11875 |
| a | 9.3712 ± 0.0005 Å |
| b | 12.2475 ± 0.0007 Å |
| c | 12.7385 ± 0.0007 Å |
| α | 92.853 ± 0.005° |
| β | 102.427 ± 0.005° |
| γ | 111.744 ± 0.006° |
| Cell volume | 1312.62 ± 0.14 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.087 |
| Residual factor for significantly intense reflections | 0.0583 |
| Weighted residual factors for significantly intense reflections | 0.1286 |
| Weighted residual factors for all reflections included in the refinement | 0.1449 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7230484.cif |
| 230918 | 2019-11-17 | cif/ Updating files of 7230483, 7230484 Original log message: Adding full bibliography for 7230483--7230484.cif. |
7230484.cif |
| 207378 | 2018-04-17 | cif/ Adding structures of 7230483, 7230484 via cif-deposit CGI script. |
7230484.cif |
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Users of the data should acknowledge the original authors of the
structural data.