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Information card for entry 4120585
Preview
Coordinates | 4120585.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H46 N6 O9 |
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Calculated formula | C40 H46 N6 O9 |
SMILES | c1(cc(c(c(c1)C)Nc1c(cc(c(c1)Nc1c(cc(cc1C)NC(=O)c1c(cc(c(c1)OCC(C)C)C(=O)OCC)OCC(C)C)C)N(=O)=O)N(=O)=O)C)N |
Title of publication | Aromatic Oligoamide β-Sheet Foldamers. |
Authors of publication | Sebaoun, Laure; Maurizot, Victor; Granier, Thierry; Kauffmann, Brice; Huc, Ivan |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 5 |
Pages of publication | 2168 - 2174 |
a | 21.202 ± 0.004 Å |
b | 15.209 ± 0.003 Å |
c | 24.506 ± 0.005 Å |
α | 90° |
β | 95.07 ± 0.03° |
γ | 90° |
Cell volume | 7871 ± 3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.1131 |
Residual factor for significantly intense reflections | 0.094 |
Weighted residual factors for significantly intense reflections | 0.2776 |
Weighted residual factors for all reflections included in the refinement | 0.3037 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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