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Information card for entry 7150885
Preview
Coordinates | 7150885.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H29 N3 O3 |
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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 |
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