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Information card for entry 7112037
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| Coordinates | 7112037.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Organic compound, XXU |
|---|---|
| Formula | C20 H19 N O3 |
| Calculated formula | C20 H19 N O3 |
| Title of publication | Expedient access to substituted 3-amino-2-cyclopentenones by dirhodium-catalyzed [3+2]-annulation of silylated ketene imines and enoldiazoacetates |
| Authors of publication | Xichen Xu; John S. Leszczynski; Savannah M. Mason; Peter Y. Zavalij; Michael P. Doyle |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 2462 |
| a | 10.4622 ± 0.0011 Å |
| b | 12.7512 ± 0.0013 Å |
| c | 13.6245 ± 0.0014 Å |
| α | 102.777 ± 0.0016° |
| β | 103.965 ± 0.0016° |
| γ | 102.101 ± 0.0016° |
| Cell volume | 1652.4 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.048 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.0769 |
| Weighted residual factors for all reflections included in the refinement | 0.082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7112037.cif |
| 180234 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/20. |
7112037.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7112037.cif |
| 103357 | 2014-03-03 | cif/ Adding structures of 7112037 via cif-deposit CGI script. |
7112037.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.