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Information card for entry 7233667
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| Coordinates | 7233667.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H36 N2 O4 S2 |
|---|---|
| Calculated formula | C36 H36 N2 O4 S2 |
| Title of publication | Phthalimide-thiophene-based conjugated organic small molecules with high electron mobility |
| Authors of publication | Jon-Paul Sun; Arthur D. Hendsbee; Ala a F. Eftaiha; Casper Macaulay; Lesley R. Rutledge; Gregory C. Welch; Ian G. Hill |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2014 |
| Journal volume | 2 |
| Pages of publication | 2612 - 2621 |
| a | 5.021 ± 0.005 Å |
| b | 11.022 ± 0.012 Å |
| c | 14.579 ± 0.015 Å |
| α | 107.556 ± 0.012° |
| β | 94.166 ± 0.013° |
| γ | 95.76 ± 0.012° |
| Cell volume | 760.8 ± 1.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.3388 |
| Residual factor for significantly intense reflections | 0.0678 |
| Weighted residual factors for significantly intense reflections | 0.1022 |
| Weighted residual factors for all reflections included in the refinement | 0.1523 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.583 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7233667.cif |
| 287940 | 2023-12-01 | cif/ Corrected the misspelt variants of the '_publ_section_exptl_refinement' data name in multiple entries. |
7233667.cif |
| 218004 | 2019-09-05 | cif/ Adding structures of 7233667 via cif-deposit CGI script. |
7233667.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.