Information card for entry 7155003

Structure parameters

• Chemical name: 2-Bromo-9,10-dimethyl-6,17c-dihydro-5H-indazolo[2,3-a]isoquinolino[1,2-c]quinoxaline
• Formula: C24 H20 Br N3
• Calculated formula: C24 H20 Br N3
• SMILES: Brc1ccc2c(c1)C1N(CC2)c2c(n3nc4c(c13)cccc4)cc(c(c2)C)C
• Title of publication: BF3·OEt2 mediated metal-free one-pot sequential multiple annulation cascade (SMAC) synthesis of complex and diverse tetrahydroisoquinoline fused hybrid molecules.
• Authors of publication: Shinde, Anand H.; Vidyacharan, Shinde; Sharada, Duddu S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 3207 - 3211
• a: 10.1488 ± 0.0005 Å
• b: 17.0478 ± 0.0004 Å
• c: 12.052 ± 0.0004 Å
• α: 90°
• β: 113.032 ± 0.005°
• γ: 90°
• Cell volume: 1918.96 ± 0.14 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.066179
• Residual factor for significantly intense reflections: 0.05177
• Weighted residual factors for all reflections included in the refinement: 0.15219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04853
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No