Information card for entry 1555479

Structure parameters

• Formula: C24 H8 Br2 N2
• Calculated formula: C24 H18 Br2 N2
• SMILES: c12c(cc(cc1cc1c(CC(C)(c3ccccc3)Nc3c1cccc3)n2)Br)Br
• Title of publication: Synthesis of Quinoline-Fused 1-Benzazepines through a Mannich-Type Reaction of a C,N-Bisnucleophile Generated from 2-Aminobenzaldehyde and 2-Methylindole.
• Authors of publication: Min, Lijun; Pan, Bin; Gu, Yanlong
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 3
• Pages of publication: 364 - 367
• a: 11.5512 ± 0.0017 Å
• b: 7.5173 ± 0.0011 Å
• c: 22.879 ± 0.003 Å
• α: 90°
• β: 91.554 ± 0.004°
• γ: 90°
• Cell volume: 1985.9 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1359
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No