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Information card for entry 4037935
Preview
| Coordinates | 4037935.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H22 N6 |
|---|---|
| Calculated formula | C30 H22 N6 |
| Title of publication | Rational Synthesis of 5,10-Diazaporphyrins via Nucleophilic Substitution Reactions of α,α'-Dibromotripyrrin and Dihydrogenation to Give 5,10-Diazachlorins. |
| Authors of publication | Umetani, Masataka; Kim, Gakhyun; Tanaka, Takayuki; Kim, Dongho; Osuka, Atsuhiro |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 7.084 ± 0.0003 Å |
| b | 12.3593 ± 0.0006 Å |
| c | 12.9315 ± 0.0007 Å |
| α | 89.408 ± 0.004° |
| β | 89.035 ± 0.004° |
| γ | 83.887 ± 0.004° |
| Cell volume | 1125.56 ± 0.1 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0533 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.1095 |
| Weighted residual factors for all reflections included in the refinement | 0.1171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248183 (current) | 2020-02-15 | cif/ Adding structures of 4037930, 4037931, 4037932, 4037933, 4037934, 4037935, 4037936 via cif-deposit CGI script. |
4037935.cif |
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Users of the data should acknowledge the original authors of the
structural data.