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Information card for entry 1564384
Preview
| Coordinates | 1564384.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36.32 H47.29 N4 O3.32 |
|---|---|
| Calculated formula | C36.323 H47.292 N4 O3.323 |
| 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 | 12.2252 ± 0.0004 Å |
| b | 12.1333 ± 0.0004 Å |
| c | 22.9886 ± 0.0008 Å |
| α | 90° |
| β | 90.0171 ± 0.0016° |
| γ | 90° |
| Cell volume | 3409.9 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.049 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.1172 |
| Weighted residual factors for all reflections included in the refinement | 0.1197 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1564384.cif |
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Users of the data should acknowledge the original authors of the
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