Information card for entry 7152064

Structure parameters

• Common name: 12b-Hydroxy-3-bromo-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one
• Chemical name: 12b-Hydroxy-3-bromo-5,12b-dihydro-6H-isoindolo[1,2-a]isoquinolin-8-one
• Formula: C16 H12 Br N O2
• Calculated formula: C16 H12 Br N O2
• SMILES: Brc1cc2c(C3(O)N(C(=O)c4ccccc34)CC2)cc1
• 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: 23.93 ± 0.003 Å
• b: 9.1192 ± 0.0004 Å
• c: 17.171 ± 0.002 Å
• α: 90°
• β: 134.52 ± 0.02°
• γ: 90°
• Cell volume: 2671.7 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.053107
• Residual factor for significantly intense reflections: 0.039394
• Weighted residual factors for all reflections included in the refinement: 0.065956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02533
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No