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Information card for entry 4135460
Preview
| Coordinates | 4135460.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H24 N2 Na2 O14 |
|---|---|
| Calculated formula | C20 H24 N2 Na2 O14 |
| Title of publication | Crystal Lattice Design of H2O-Tolerant n-Type Semiconducting Dianionic Naphthalenediimide Derivatives |
| Authors of publication | Abe, Haruka; Kawasaki, Ayumi; Takeda, Takashi; Hoshino, Norihisa; Matsuda, Wakana; Seki, Shu; Akutagawa, Tomoyuki |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 7.53515 ± 0.00014 Å |
| b | 9.37159 ± 0.00017 Å |
| c | 17.3157 ± 0.0003 Å |
| α | 100.624 ± 0.0012° |
| β | 98.803 ± 0.0011° |
| γ | 93.048 ± 0.0012° |
| Cell volume | 1183.48 ± 0.04 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0668 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.1242 |
| Weighted residual factors for all reflections included in the refinement | 0.136 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260307 (current) | 2021-01-01 | cif/ Adding structures of 4135460 via cif-deposit CGI script. |
4135460.cif |
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Users of the data should acknowledge the original authors of the
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