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Information card for entry 4003955
Preview
| Coordinates | 4003955.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H26 B2 N2 |
|---|---|
| Calculated formula | C168 H104 B8 N8 |
| 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 | 21.56 Å |
| b | 5.89 Å |
| c | 22.24 Å |
| α | 90° |
| β | 93.8° |
| γ | 90° |
| Cell volume | 2818.01 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0547 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.1242 |
| Weighted residual factors for all reflections included in the refinement | 0.1288 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.7 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266499 (current) | 2021-06-17 | cif/ Adding structures of 4003955 via cif-deposit CGI script. |
4003955.cif |
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Users of the data should acknowledge the original authors of the
structural data.