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Information card for entry 7052833
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| Coordinates | 7052833.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | bis{N-(2-pyridyl)aminoethyl}carbonate |
|---|---|
| Formula | C15 H18 N4 O3 |
| Calculated formula | C15 H18 N4 O3 |
| SMILES | c1(ccccn1)NCCOC(=O)OCCNc1ccccn1 |
| Title of publication | Engineering N-(2-pyridyl)aminoethyl alcohols as potential precursors of thermolabile protecting groups |
| Authors of publication | Chmielewski, Marcin K.; Tykarska, Ewa; Markiewicz, Wojciech T.; Rypniewski, Wojciech |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2012 |
| Journal volume | 36 |
| Journal issue | 3 |
| Pages of publication | 603 |
| a | 32.334 ± 0.007 Å |
| b | 5.791 ± 0.0012 Å |
| c | 16.392 ± 0.003 Å |
| α | 90° |
| β | 104.42 ± 0.03° |
| γ | 90° |
| Cell volume | 2972.6 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0462 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.1283 |
| Weighted residual factors for all reflections included in the refinement | 0.1298 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.808 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7052833.cif |
| 180082 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/28. |
7052833.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052833.cif |
| 37623 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7052829, 7052830, 7052831, 7052832, 7052833 via cif-deposit CGI script. |
7052833.cif |
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Users of the data should acknowledge the original authors of the
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