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Information card for entry 1547068
Preview
| Coordinates | 1547068.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H25 N O9 |
|---|---|
| Calculated formula | C26 H25 N O9 |
| SMILES | OC(N[C@@H](c1cccc2ccccc12)C)=C1C(=C(C(=C1C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC |
| Title of publication | Methods for the Synthesis of Functionalized Pentacarboxycyclopentadienes. |
| Authors of publication | Gheewala, Chirag D.; Radtke, M. Alex; Hui, Jessica; Hon, Alec B.; Lambert, Tristan H. |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 16 |
| Pages of publication | 4227 - 4230 |
| a | 9.04 ± 0.004 Å |
| b | 6.791 ± 0.003 Å |
| c | 19.479 ± 0.008 Å |
| α | 90° |
| β | 95.016 ± 0.006° |
| γ | 90° |
| Cell volume | 1191.2 ± 0.9 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0549 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1146 |
| Weighted residual factors for all reflections included in the refinement | 0.1209 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200582 (current) | 2017-09-12 | cif/ Adding structures of 1547068 via cif-deposit CGI script. |
1547068.cif |
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Users of the data should acknowledge the original authors of the
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