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CIF Information Card
Information card for 2013332
2013331 << 2013332 >> 2013333Preview
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Coordinates |
2013332.cif |
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Structure factors |
2013332.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Common name | C13 H21 N O4 |
| Chemical name | (1R,3S,6S)-[6-tert-butyl-1-hydroxymethyl-5-methyoxy-6-methyl-7-oxa-8-oxo -4-aza-spiro[2.5]oct-4-en-8-one |
| Formula | - C13 H21 N O4 - |
| Calculated formula | - C13 H21 N O4 - |
| Title of publication | (1<i>R</i>,3<i>S</i>,6<i>S</i>)-6-<i>tert</i>-Butyl-1-hydroxymethyl-5-methoxy-6-methyl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one and dimethyl [(1<i>S</i>,1'<i>R</i>,3'<i>S</i>,6'<i>S</i>)-(6'-<i>tert</i>-butyl-5'-methoxy-6'-methyl-8'-oxo-7'-oxa-4'-azaspiro[2.5]oct-4'-en-1'-yl)hydroxymethyl]phosphonate |
| Authors of publication | Małecka, Magdalena; Wanner, Klaus Th.; Budzisz, Elżbieta |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 6 |
| Pages of publication | o317 - o320 |
| a | 8.134 ± 0.003 Å |
| b | 22.802 ± 0.002 Å |
| c | 7.744 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1436.3 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 21 21 21 |
| Hall symmetry space group | P 2ac 2ab |
| Residual factor for all reflections | 0.0625 |
| Residual factor for observed reflections | 0.0524 |
| Weighted residual factors for the observed reflections | 0.159 |
| Weighted residual factors for all reflections included in the refinement | 0.1626 |
| Goodness-of-fit parameter for observed reflections | 1.024 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |