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CIF Information Card
Information card for 2015224
2015223 << 2015224 >> 2015225Preview
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Coordinates |
2015224.cif |
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Structure factors |
2015224.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | (4S)-3-[(2R,3S)-3-Hydroxy-2-methyl-3-phenylpropionyl]-4- isopropyloxazolidin-2-one |
| Formula | - C16 H21 N O4 - |
| Calculated formula | - C16 H21 N O4 - |
| Title of publication | (4<i>S</i>)-3-[(2<i>R</i>,3<i>S</i>)-3-Hydroxy-2-methyl-3-phenylpropionyl]-4-isopropyloxazolidin-2-one |
| Authors of publication | Hwang, In-Chul; Jang, Jung Hee; Kim, Taek Hyeon; Ha, Kwang |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 4 |
| Pages of publication | o196 - o198 |
| a | 11.6191 ± 0.001 Å |
| b | 6.1749 ± 0.0005 Å |
| c | 12.0431 ± 0.001 Å |
| α | 90° |
| β | 113.394 ± 0.002° |
| γ | 90° |
| Cell volume | 793.02 ± 0.11 Å3 |
| Cell temperature | 243 ± 2 K |
| Ambient diffraction temperature | 243 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21 1 |
| Hall symmetry space group | P 2yb |
| Residual factor for all reflections | 0.1064 |
| Residual factor for observed reflections | 0.0404 |
| Weighted residual factors for the observed reflections | 0.0519 |
| Weighted residual factors for all reflections included in the refinement | 0.0614 |
| Goodness-of-fit parameter for observed reflections | 0.817 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |