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Information card for entry 7058148
Preview
| Coordinates | 7058148.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C117 H88 |
|---|---|
| Calculated formula | C117 H88 |
| Title of publication | Oligofluorene with multiple spiro-connections: its and their use in blue and white OLEDs |
| Authors of publication | Xia, Debin; Duan, Chunbo; Liu, Shihui; Ding, Dongxue; Baumgarten, Martin; Wagner, Manfred; Schollmeyer, Dieter; Xu, Hui; Müllen, Klaus |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| Journal volume | 43 |
| Journal issue | 9 |
| Pages of publication | 3788 |
| a | 18.8798 ± 0.0013 Å |
| b | 18.969 ± 0.0012 Å |
| c | 20.2269 ± 0.0015 Å |
| α | 114.305 ± 0.005° |
| β | 110.247 ± 0.005° |
| γ | 90.152 ± 0.005° |
| Cell volume | 6104.1 ± 0.8 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2521 |
| Residual factor for significantly intense reflections | 0.1122 |
| Weighted residual factors for significantly intense reflections | 0.2794 |
| Weighted residual factors for all reflections included in the refinement | 0.3632 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.899 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7058148.cif |
| 224888 | 2019-11-08 | cif/ Updating files of 7058148 Original log message: Adding full bibliography for 7058148.cif. |
7058148.cif |
| 213510 | 2019-02-06 | cif/ Adding structures of 7058148 via cif-deposit CGI script. |
7058148.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.