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Information card for entry 7150885
Preview
| Coordinates | 7150885.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H29 N3 O3 |
|---|---|
| Calculated formula | C14 H29 N3 O3 |
| SMILES | C(C)(C)(C)OC(=O)NC(CC(C)C)NC(=O)NC(C)C |
| Title of publication | Propensity for local folding induced by the urea fragment in short-chain oligomers |
| Authors of publication | Fischer, Lucile; Didierjean, Claude; Jolibois, Franck; Semetey, Vincent; Manuel Lozano, Jose; Briand, Jean-Paul; Marraud, Michel; Poteau, Romuald; Guichard, Gilles |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2008 |
| Journal volume | 6 |
| Journal issue | 14 |
| Pages of publication | 2596 - 2610 |
| a | 12.169 ± 0.006 Å |
| b | 9.397 ± 0.003 Å |
| c | 16.467 ± 0.002 Å |
| α | 90° |
| β | 103.86 ± 0.03° |
| γ | 90° |
| Cell volume | 1828.2 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0828 |
| Residual factor for significantly intense reflections | 0.0656 |
| Weighted residual factors for significantly intense reflections | 0.1825 |
| Weighted residual factors for all reflections included in the refinement | 0.2002 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180294 (current) | 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 7/15/08. |
7150885.cif |
| 120677 | 2014-07-23 | cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot. |
7150885.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150885.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7150885.cif |
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Users of the data should acknowledge the original authors of the
structural data.