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Information card for entry 1504548
Preview
| Coordinates | 1504548.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C40 H24 F18 N2 O4 |
|---|---|
| Calculated formula | C40 H24 F18 N2 O4 |
| SMILES | FC(F)(c1cc2C(=O)N(C(=O)c3ccc4c5c(cc6C(=O)N(C(=O)c7ccc(c1c4c23)c5c67)CCCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC)C(F)(F)C(F)(F)C(F)(F)F |
| Title of publication | Air-stable n-type semiconductor: core-perfluoroalkylated perylene bisimides. |
| Authors of publication | Li, Yan; Tan, Lin; Wang, Zhaohui; Qian, Hualei; Shi, Yubai; Hu, Wenping |
| Journal of publication | Organic letters |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 4 |
| Pages of publication | 529 - 532 |
| a | 10.4454 ± 0.001 Å |
| b | 10.6947 ± 0.0012 Å |
| c | 16.8558 ± 0.0016 Å |
| α | 85.73 ± 0.008° |
| β | 76.611 ± 0.007° |
| γ | 85.383 ± 0.009° |
| Cell volume | 1822.8 ± 0.3 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0775 |
| Residual factor for significantly intense reflections | 0.0588 |
| Weighted residual factors for significantly intense reflections | 0.1186 |
| Weighted residual factors for all reflections included in the refinement | 0.1272 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.132 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1504548.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1504548.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1504548.cif |
| 42162 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504548 via cif-deposit CGI script. |
1504548.cif |
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Users of the data should acknowledge the original authors of the
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