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Information card for entry 4038457
Preview
| Coordinates | 4038457.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C81 H76 Cl2 N4 O4 |
|---|---|
| Calculated formula | C81 H76 Cl2 N4 O4 |
| Title of publication | Investigations of low-symmetrical tetraaryltetrabenzoporphyrins produced by mixed condensation reactions. |
| Authors of publication | Ruppel, Michael; Gazetas, Lampros-Pascal; Lungerich, Dominik; Hampel, Frank; Jux, Norbert |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 10.8119 ± 0.0001 Å |
| b | 27.364 ± 0.0004 Å |
| c | 23.5338 ± 0.0003 Å |
| α | 90° |
| β | 93.109 ± 0.001° |
| γ | 90° |
| Cell volume | 6952.39 ± 0.15 Å3 |
| Cell temperature | 153 ± 0.1 K |
| Ambient diffraction temperature | 153 ± 0.1 K |
| Number of distinct elements | 5 |
| 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 | 0.0812 |
| Residual factor for significantly intense reflections | 0.0697 |
| Weighted residual factors for significantly intense reflections | 0.1942 |
| Weighted residual factors for all reflections included in the refinement | 0.2086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252584 (current) | 2020-06-04 | cif/ Adding structures of 4038457 via cif-deposit CGI script. |
4038457.cif |
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