Information card for entry 7153468

Structure parameters

• Common name: 12b-Hydroxy-3,4-dimethoxy-5,12b-dihydro-6H-isoindolo(1,2- a)isoquinolin-8-one
• Chemical name: 12b-Hydroxy-3,4-dimethoxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one
• Formula: C18 H17 N O4
• Calculated formula: C18 H17 N O4
• SMILES: c12c(C3(N(C(=O)c4c3cccc4)CC2)O)ccc(OC)c1OC
• 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: 8.0395 ± 0.0002 Å
• b: 8.2771 ± 0.0003 Å
• c: 11.8814 ± 0.0003 Å
• α: 102.552 ± 0.002°
• β: 95.117 ± 0.002°
• γ: 102.507 ± 0.002°
• Cell volume: 745.68 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No