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Information card for entry 1504547
Preview
| Coordinates | 1504547.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H10 F32 N2 O4 |
|---|---|
| Calculated formula | C40 H10 F32 N2 O4 |
| SMILES | N1(CC(F)(F)C(F)(F)C(F)(F)F)C(=O)c2ccc3c4c(c(cc(C1=O)c24)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)c1c2c3c(cc3C(=O)N(C(=O)c(cc1)c23)CC(C(C(F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)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 | 10.57 ± 0.003 Å |
| b | 12.885 ± 0.003 Å |
| c | 16.682 ± 0.004 Å |
| α | 66.858 ± 0.01° |
| β | 76.524 ± 0.015° |
| γ | 84.62 ± 0.017° |
| Cell volume | 2031.7 ± 0.9 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 | 0.0917 |
| Residual factor for significantly intense reflections | 0.0548 |
| Weighted residual factors for significantly intense reflections | 0.1238 |
| Weighted residual factors for all reflections included in the refinement | 0.1443 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1504547.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. |
1504547.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1504547.cif |
| 42161 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504547 via cif-deposit CGI script. |
1504547.cif |
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