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Information card for entry 4003187
Preview
| Coordinates | 4003187.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H44 F6 N2 O4 S2 |
|---|---|
| Calculated formula | C48 H44 F6 N2 O4 S2 |
| Title of publication | α-Modified Naphthodithiophene Diimides—Molecular Design Strategy for Air-Stable n-Channel Organic Semiconductors |
| Authors of publication | Nakano, Masahiro; Osaka, Itaru; Hashizume, Daisuke; Takimiya, Kazuo |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2015 |
| Journal volume | 27 |
| Journal issue | 18 |
| Pages of publication | 6418 |
| a | 4.7594 ± 0.0016 Å |
| b | 13.444 ± 0.003 Å |
| c | 16.816 ± 0.006 Å |
| α | 107.754 ± 0.014° |
| β | 95.034 ± 0.016° |
| γ | 90.919 ± 0.019° |
| Cell volume | 1019.7 ± 0.6 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1792 |
| Residual factor for significantly intense reflections | 0.0956 |
| Weighted residual factors for significantly intense reflections | 0.2605 |
| Weighted residual factors for all reflections included in the refinement | 0.3132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301811 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
4003187.cif |
| 231420 | 2019-11-22 | cif/ Adding structures of 4003187 via cif-deposit CGI script. |
4003187.cif |
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Users of the data should acknowledge the original authors of the
structural data.