Information card for entry 7153473

Structure parameters

• Common name: 9,11-dimethoxy-1,2,3,6,7,11b-hexahydrobenzo(a)quinolizin-4-one
• Chemical name: 9,11-dimethoxy-1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one
• Formula: C15 H19 N O3
• Calculated formula: C15 H19 N O3
• SMILES: c12C3N(CCc2cc(cc1OC)OC)C(=O)CCC3
• Title of publication: An unusual reactivity of BBr(3): Accessing tetrahydroisoquinoline units from N-phenethylimides.
• Authors of publication: Selvakumar, Jayaraman; Makriyannis, Alexandros; Ramanathan, Chinnasamy Ramaraj
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 18
• Pages of publication: 4056 - 4058
• a: 10.299 ± 0.0005 Å
• b: 8.4437 ± 0.0004 Å
• c: 15.6262 ± 0.0007 Å
• α: 90°
• β: 95.396 ± 0.004°
• γ: 90°
• Cell volume: 1352.86 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No