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Information card for entry 1564385
Preview
| Coordinates | 1564385.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H49 N5 O3 Zn |
|---|---|
| Calculated formula | C41 H49 N5 O3 Zn |
| Title of publication | β-Trioxopyrrocorphins: Pyrrocorphins of graded aromaticity |
| Authors of publication | Chaudhri, Nivedita; Guberman-Pfeffer, Matthew J.; Li, Ruoshi; Zeller, Matthias; Brückner, Christian |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 12.0722 ± 0.0006 Å |
| b | 18.1055 ± 0.0009 Å |
| c | 19.2232 ± 0.001 Å |
| α | 67.041 ± 0.002° |
| β | 88.923 ± 0.002° |
| γ | 78.976 ± 0.002° |
| Cell volume | 3790.2 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0752 |
| Residual factor for significantly intense reflections | 0.0583 |
| Weighted residual factors for significantly intense reflections | 0.1561 |
| Weighted residual factors for all reflections included in the refinement | 0.1677 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268163 (current) | 2021-08-22 | cif/ Adding structures of 1564383, 1564384, 1564385 via cif-deposit CGI script. |
1564385.cif |
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Users of the data should acknowledge the original authors of the
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