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Information card for entry 2004768
Preview
| Coordinates | 2004768.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | (2R,3R) 3-Amino-1-(1'-methyloxycarbonyl-2-methyl-prop-1'-enyl)-4-oxoazetidine-2- sulfonic Acid Monohydrate |
|---|---|
| Formula | C9 H16 N2 O7 S |
| Calculated formula | C9 H16 N2 O7 S |
| Title of publication | (2<i>R</i>,3<i>R</i>)-3-Ammonio-1-(1-methoxycarbonyl-2-methyl-1-propenyl)-4-oxoazetidine-2-sulfonate Monohydrate: a New Chiral β-Lactam Synthon |
| Authors of publication | Mandic, Z.; Kiralj, R.; Kojic-Prodic, B.; Kovacevic, M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 4 |
| Pages of publication | 988 - 991 |
| a | 6.097 ± 0.007 Å |
| b | 6.804 ± 0.005 Å |
| c | 16.92 ± 0.02 Å |
| α | 90° |
| β | 97.66 ± 0.06° |
| γ | 90° |
| Cell volume | 695.6 ± 1.3 Å3 |
| Cell temperature | 295 ± 3 K |
| Ambient diffraction temperature | 295 ± 3 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.0431 |
| Goodness-of-fit parameter for significantly intense reflections | 0.46 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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