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Information card for entry 4032644
Preview
| Coordinates | 4032644.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H14 F14 |
|---|---|
| Calculated formula | C42 H14 F14 |
| Title of publication | Perfluorinated and Half-Fluorinated Rubrenes: Synthesis and Crystal Packing Arrangements. |
| Authors of publication | Sakamoto, Youichi; Suzuki, Toshiyasu |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2017 |
| Journal volume | 82 |
| Journal issue | 15 |
| Pages of publication | 8111 - 8116 |
| a | 15.5207 ± 0.0019 Å |
| b | 28.081 ± 0.004 Å |
| c | 7.3931 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3222.2 ± 0.7 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 3 |
| Space group number | 52 |
| Hermann-Mauguin space group symbol | P n n a |
| Hall space group symbol | -P 2a 2bc |
| Residual factor for significantly intense reflections | 0.0748 |
| Weighted residual factors for all reflections included in the refinement | 0.1008 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.243 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4032644.cif |
| 200704 | 2017-09-12 | cif/ Updating files of 4032643, 4032644 Original log message: Adding full bibliography for 4032643--4032644.cif. |
4032644.cif |
| 198763 | 2017-07-18 | cif/ Adding structures of 4032644 via cif-deposit CGI script. |
4032644.cif |
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Users of the data should acknowledge the original authors of the
structural data.