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Information card for entry 4038915
Preview
| Coordinates | 4038915.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H54 N4 O2 |
|---|---|
| Calculated formula | C38 H54 N4 O2 |
| Title of publication | Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins |
| Authors of publication | Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian |
| Journal of publication | The Journal of Organic Chemistry |
| Year of publication | 2020 |
| a | 13.3711 ± 0.0005 Å |
| b | 12.805 ± 0.0005 Å |
| c | 20.1366 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3447.7 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0551 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.1085 |
| Weighted residual factors for all reflections included in the refinement | 0.1157 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258535 (current) | 2020-10-22 | cif/ Adding structures of 4038913, 4038914, 4038915, 4038916, 4038917, 4038918, 4038919 via cif-deposit CGI script. |
4038915.cif |
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Users of the data should acknowledge the original authors of the
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