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Information card for entry 4003188
Preview
| Coordinates | 4003188.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | DC-NDTI8 |
|---|---|
| Chemical name | DCNDTI |
| Formula | C34 H36 Cl2 N2 O4 S2 |
| Calculated formula | C34 H36 Cl2 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 | 5.3741 ± 0.0011 Å |
| b | 8.3251 ± 0.0016 Å |
| c | 18.155 ± 0.003 Å |
| α | 93.296 ± 0.01° |
| β | 93.705 ± 0.01° |
| γ | 98.532 ± 0.01° |
| Cell volume | 799.7 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.1078 |
| Residual factor for significantly intense reflections | 0.066 |
| Weighted residual factors for significantly intense reflections | 0.1725 |
| Weighted residual factors for all reflections included in the refinement | 0.2258 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.158 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| 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. |
4003188.cif |
| 231421 | 2019-11-22 | cif/ Adding structures of 4003188 via cif-deposit CGI script. |
4003188.cif |
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Users of the data should acknowledge the original authors of the
structural data.