Information card for entry 7156630

Structure parameters

• Formula: C28 H20 Br N O S0
• Calculated formula: C28 H20 Br N O
• Title of publication: Base-promoted direct synthesis of functionalized N-arylindoles via the cascade reactions of allenic ketones with indoles.
• Authors of publication: Li, Shengxiao; Wu, Xin-Xing; Chen, Shufeng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 4
• Pages of publication: 789 - 793
• a: 16.935 ± 0.003 Å
• b: 7.2255 ± 0.0011 Å
• c: 18.475 ± 0.003 Å
• α: 90°
• β: 96.243 ± 0.016°
• γ: 90°
• Cell volume: 2247.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1911
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1845
• Weighted residual factors for all reflections included in the refinement: 0.2287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No