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Information card for entry 7121473
Preview
| Coordinates | 7121473.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H48 N2 |
|---|---|
| Calculated formula | C34 H48 N2 |
| Title of publication | The reductive aromatization of naphthalene diimide: a versatile platform for 2,7-diazapyrenes. |
| Authors of publication | Nakazato, Takumi; Kamatsuka, Takuto; Inoue, Junichi; Sakurai, Tsuneaki; Seki, Shu; Shinokubo, Hiroshi; Miyake, Yoshihiro |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 41 |
| Pages of publication | 5177 - 5180 |
| a | 21.6241 ± 0.0008 Å |
| b | 4.7229 ± 0.0003 Å |
| c | 27.9845 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2858 ± 0.2 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0798 |
| Residual factor for significantly intense reflections | 0.0675 |
| Weighted residual factors for significantly intense reflections | 0.1748 |
| Weighted residual factors for all reflections included in the refinement | 0.1878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121473.cif |
| 228076 | 2019-11-17 | cif/ Updating files of 7121471, 7121472, 7121473 Original log message: Adding full bibliography for 7121471--7121473.cif. |
7121473.cif |
| 207251 | 2018-04-07 | cif/ Adding structures of 7121471, 7121472, 7121473 via cif-deposit CGI script. |
7121473.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.