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Information card for entry 7216696
Preview
| Coordinates | 7216696.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H12 F6 |
|---|---|
| Calculated formula | C24 H12 F6 |
| SMILES | FC(F)(F)c1c2cc(C#Cc3ccccc3)ccc2c(c2c1cccc2)C(F)(F)F |
| Title of publication | Development of novel synthetic routes to bis(perfluoroalkyl)-substituted anthracene derivatives |
| Authors of publication | Shigeyuki Yamada; Keita Kinoshita; Shota Iwama; Takashi Yamazaki; Toshio Kubota; Tomoko Yajima |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 19 |
| Pages of publication | 6803 - 6806 |
| a | 9.624 ± 0.003 Å |
| b | 9.777 ± 0.003 Å |
| c | 10.267 ± 0.003 Å |
| α | 89.282 ± 0.007° |
| β | 73.95 ± 0.006° |
| γ | 86.894 ± 0.006° |
| Cell volume | 927 ± 0.5 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 significantly intense reflections | 0.0636 |
| Weighted residual factors for all reflections included in the refinement | 0.166 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7216696.cif |
| 180497 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/66. |
7216696.cif |
| 117922 | 2014-06-20 | cif/ Adding structures of 7216696, 7216697, 7216698, 7216699, 7216700, 7216701 via cif-deposit CGI script. |
7216696.cif |
All data in the COD and the database itself are dedicated to the
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CC0
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.
Users of the data should acknowledge the original authors of the
structural data.