Information card for entry 1559079

Structure parameters

• Common name: 6,7-Dimethoxy-4-phenyl-1,2,3,4-tetrahydroisoquinoline
• Formula: C17 H20 Cl N O2
• Calculated formula: C17 Cl N O2
• SMILES: [Cl-].O(c1cc2[C@H](C[NH2+]Cc2cc1OC)c1ccccc1)C
• Title of publication: Resolution and Absolute Stereochemistry of 6,7-Dimethoxy-4-phenyl-1,2,3,4-tetrahydroisoquinoline. The Crystal Structure of the R-Hydrochloride Salt Form
• Authors of publication: Mondeshka, Diana; Angelova, Ivanka; Stensland, Birgitta; Werner, Per-Erik; Ivanov, Chavdor
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1992
• Journal volume: 46
• Pages of publication: 54 - 59
• a: 13.369 ± 0.002 Å
• b: 5.455 ± 0.002 Å
• c: 11.171 ± 0.003 Å
• α: 90°
• β: 95.8 ± 0.02°
• γ: 90°
• Cell volume: 810.5 ± 0.4 ų
• Ambient diffraction temperature: 293 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: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0416
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No