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Information card for entry 4003956
Preview
| Coordinates | 4003956.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H26 |
|---|---|
| Calculated formula | C184 H104 |
| Title of publication | B2N2-Doped Dibenzo[a,m]Rubicene: Modular Synthesis, Properties, and Coordination-Induced Color Tunability |
| Authors of publication | Sakamaki, Takumi; Nakamuro, Takayuki; Yamashita, Keitaro; Hirata, Kunio; Shang, Rui; Nakamura, Eiichi |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2021 |
| a | 20.69 Å |
| b | 6.2 Å |
| c | 22 Å |
| α | 90° |
| β | 92.09° |
| γ | 90° |
| Cell volume | 2820.24 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0574 |
| Residual factor for significantly intense reflections | 0.0552 |
| Weighted residual factors for significantly intense reflections | 0.1409 |
| Weighted residual factors for all reflections included in the refinement | 0.1429 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.7 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266500 (current) | 2021-06-17 | cif/ Adding structures of 4003956 via cif-deposit CGI script. |
4003956.cif |
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Users of the data should acknowledge the original authors of the
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