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Information card for entry 7150887
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Coordinates | 7150887.cif |
---|---|
External links | ChemSpider |
Formula | C17 H27 N3 O3 |
---|---|
Calculated formula | C17 H27 N3 O3 |
SMILES | C(C)(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CNC(=O)N(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 | 5.241 ± 0.001 Å |
b | 17.883 ± 0.003 Å |
c | 19.356 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1814.1 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0535 |
Residual factor for significantly intense reflections | 0.0503 |
Weighted residual factors for significantly intense reflections | 0.1307 |
Weighted residual factors for all reflections included in the refinement | 0.1377 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.5406 Å |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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