Information card for entry 7150888
Formula |
C19 H24 N4 O2 |
Calculated formula |
C19 H24 N4 O2 |
SMILES |
c1(ccccc1)CNC(=O)N[C@@H](Cc1ccccc1)CNC(=O)NC |
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 |
4.675 ± 0.002 Å |
b |
9.497 ± 0.002 Å |
c |
10.809 ± 0.003 Å |
α |
76.78 ± 0.02° |
β |
81.59 ± 0.03° |
γ |
77.55 ± 0.02° |
Cell volume |
453.8 ± 0.3 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
Space group number |
1 |
Hermann-Mauguin space group symbol |
P 1 |
Hall space group symbol |
P 1 |
Residual factor for all reflections |
0.0714 |
Residual factor for significantly intense reflections |
0.0461 |
Weighted residual factors for significantly intense reflections |
0.1039 |
Weighted residual factors for all reflections included in the refinement |
0.1316 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.144 |
Diffraction radiation probe |
x-ray |
Diffraction radiation wavelength |
1.5406 Å |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/7150888.html