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Information card for entry 4037788
Preview
| Coordinates | 4037788.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | DGR-328A_200K |
|---|---|
| Formula | C95.5 H58 B N6 O |
| Calculated formula | C95.5 H58 B N6 O |
| Title of publication | Expanding the Subporphyrazine chromophore by conjugation of phenylene and vinylene substituents: Rainbow SubPzs. |
| Authors of publication | Caballero, Esmeralda; Guzman, David; Torres, Tomás; Rodriguez-Morgade, M Salome |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2019 |
| a | 22.03 ± 0.002 Å |
| b | 36.178 ± 0.004 Å |
| c | 30.846 ± 0.003 Å |
| α | 90° |
| β | 96.738 ± 0.002° |
| γ | 90° |
| Cell volume | 24415 ± 4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.32 |
| Residual factor for significantly intense reflections | 0.21 |
| Weighted residual factors for significantly intense reflections | 0.5116 |
| Weighted residual factors for all reflections included in the refinement | 0.5797 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.401 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246710 (current) | 2020-01-11 | cif/ Adding structures of 4037788, 4037789, 4037790, 4037791 via cif-deposit CGI script. |
4037788.cif |
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