Information card for entry 7157194

Structure parameters

• Formula: C24.5 H18 Br Cl N2 O
• Calculated formula: C24.5 H18 Br Cl N2 O
• Title of publication: Controllable Synthesis of Pyrido[2,3-b]indol-4-ones or Indolo[3,2-b]quinolines via Formal Intramolecular C(sp2)-H Functionalization
• Authors of publication: Song, Bo; Wang, Mengdan; Xu, Murong; Kong, Lingkai; Xie, Huihui; Wang, Cheng-Yu; LI, Yanzhong
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2019
• a: 29.0281 ± 0.001 Å
• b: 11.0265 ± 0.0003 Å
• c: 12.8199 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4103.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No