Information card for entry 7152065

Structure parameters

• Common name: 12b-Hydroxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one
• Chemical name: 12b-Hydroxy-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one
• Formula: C16 H13 N O2
• Calculated formula: C16 H13 N O2
• SMILES: OC12c3c(CCN2C(=O)c2c1cccc2)cccc3
• Title of publication: Brønsted acid assisted activation of imide carbonyl group: regioselective synthesis of isoindoloisoquinolinone alkaloid (±)-nuevamine.
• Authors of publication: Selvakumar, Jayaraman; Ramanathan, Chinnasamy Ramaraj
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 22
• Pages of publication: 7643 - 7646
• a: 7.9048 ± 0.0008 Å
• b: 7.9136 ± 0.0011 Å
• c: 10.4368 ± 0.0015 Å
• α: 78.413 ± 0.013°
• β: 87.471 ± 0.01°
• γ: 76.97 ± 0.01°
• Cell volume: 623.11 ± 0.14 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: 0.1041
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No