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Information card for entry 2007441
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| Coordinates | 2007441.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | (1R,3S)-1-Trichloromethyl-1,2,3,4-tetrahydro-β-carboline-3-carboxamide methanol solvate |
|---|---|
| Formula | C14 H16 Cl3 N3 O2 |
| Calculated formula | C14 H16 Cl3 N3 O2 |
| Title of publication | Endogenous Alkaloids in Man. 28. (1<i>R</i>,3<i>S</i>)-1-Trichloromethyl-1,2,3,4-tetrahydro-β-carboline-3-carboxamide Methanol Solvate, a Potential Synthetic Precursor to Enantiomerically Pure TaClo |
| Authors of publication | Peters, Karl; Peters, Eva-Maria; Blank, Michael; Protzen, Jens-Achim; Feineis, Doris; God, Ralf; Bringmann, Gerhard |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 7 |
| Pages of publication | 1005 - 1007 |
| a | 10.7523 ± 0.0006 Å |
| b | 11.0208 ± 0.0007 Å |
| c | 14.0493 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1664.83 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for all reflections included in the refinement | 0.115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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