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Information card for entry 2200547
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| Coordinates | 2200547.cif |
|---|---|
| Structure factors | 2200547.hkl |
| Original IUCr paper | HTML |
| Chemical name | N-[(R)-3-methyl-2-butyl]-(S)-2-(6-methoxy-2-naphthyl)propionamide |
|---|---|
| Formula | C19 H25 N O2 |
| Calculated formula | C19 H25 N O2 |
| SMILES | COc1cc2ccc(cc2cc1)[C@H](C)C(=O)N[C@H](C)C(C)C |
| Title of publication | Absolute configuration of <i>N</i>-[(<i>R</i>)-3-methyl-2-butyl]-(<i>S</i>)-2-(6-methoxy-2-naphthyl)propionamide |
| Authors of publication | Dupont, Léon; Khelili, Smail; Pirotte, Bernard; Tinant, Bernard; de Tullio, Pascal |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 7 |
| Pages of publication | o650 - o651 |
| a | 6.879 ± 0.002 Å |
| b | 29.563 ± 0.009 Å |
| c | 8.511 ± 0.003 Å |
| α | 90° |
| β | 99.11 ± 0.02° |
| γ | 90° |
| Cell volume | 1709 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0571 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for all reflections included in the refinement | 0.1495 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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