Information card for entry 1560133

Structure parameters

• Formula: C19 H16 Br N
• Calculated formula: C19 H16 Br N
• SMILES: Brc1ccc([C@H]2c3n(c4ccccc4c3C)CC=C2)cc1
• Title of publication: Asymmetric construction of pyrido[1,2-<i>a</i>]-1<i>H</i>-indole derivatives <i>via</i> a gold-catalyzed cycloisomerization.
• Authors of publication: Jiang, Feng; Fu, Chunling; Ma, Shengming
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 696 - 701
• a: 10.077 ± 0.004 Å
• b: 5.678 ± 0.003 Å
• c: 13.478 ± 0.006 Å
• α: 90°
• β: 96.922 ± 0.017°
• γ: 90°
• Cell volume: 765.6 ± 0.6 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No