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Information card for entry 7152072
Preview
| Coordinates | 7152072.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H15 N O4 |
|---|---|
| Calculated formula | C14 H15 N O4 |
| SMILES | O1C2(Nc3c(C2=O)ccc(c3)C(=O)OC)CCCC1 |
| Title of publication | Divergent Pd(ii) and Au(iii) mediated nitroalkynol cycloisomerizations. |
| Authors of publication | Patel, Pitambar; Ramana, Chepuri V. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 21 |
| Pages of publication | 7327 - 7334 |
| a | 5.075 ± 0.002 Å |
| b | 10.398 ± 0.004 Å |
| c | 24.245 ± 0.01 Å |
| α | 90° |
| β | 96.01° |
| γ | 90° |
| Cell volume | 1272.4 ± 0.9 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1332 |
| Residual factor for significantly intense reflections | 0.0742 |
| Weighted residual factors for significantly intense reflections | 0.1322 |
| Weighted residual factors for all reflections included in the refinement | 0.1552 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7152072.cif |
| 180306 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/20. |
7152072.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7152072.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7152072.cif |
| 30180 | 2011-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7152071, 7152072 via cif-deposit CGI script. |
7152072.cif |
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Users of the data should acknowledge the original authors of the
structural data.