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Information card for entry 4038414
Preview
| Coordinates | 4038414.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H28 N2 O2 |
|---|---|
| Calculated formula | C38 H28.5 N2 O2 |
| Title of publication | Dibenzoylbenzodipyrroles: Key Precursors for the Synthesis of Fused Meso-Aryl Sapphyrins. |
| Authors of publication | Isar, Prosenjit; Ravikanth, Mangalampalli |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 12.3713 ± 0.0014 Å |
| b | 30.827 ± 0.003 Å |
| c | 15.0142 ± 0.0013 Å |
| α | 90° |
| β | 95.618 ± 0.009° |
| γ | 90° |
| Cell volume | 5698.5 ± 1 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2673 |
| Residual factor for significantly intense reflections | 0.0982 |
| Weighted residual factors for significantly intense reflections | 0.1886 |
| Weighted residual factors for all reflections included in the refinement | 0.2939 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252398 (current) | 2020-05-28 | cif/ Adding structures of 4038414 via cif-deposit CGI script. |
4038414.cif |
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Users of the data should acknowledge the original authors of the
structural data.