Information card for entry 2007441

Structure parameters

• 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 ų
• 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