Information card for entry 7159896

Structure parameters

• Formula: C31 H26 N2
• Calculated formula: C31 H26 N2
• Title of publication: Cu(OTf)2/HFIP Catalyzed Regioselective Cycloisomerization of Indole-C3-functionalized Alkynols to Carbazoles
• Authors of publication: Yaragorla, Srinivasarao; Khan, Tabassum; Chakraborty, Sayonika
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• a: 13.2329 ± 0.0018 Å
• b: 9.328 ± 0.0011 Å
• c: 19.219 ± 0.003 Å
• α: 90°
• β: 102.019 ± 0.005°
• γ: 90°
• Cell volume: 2320.3 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• 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: 0.0952
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2235
• Weighted residual factors for all reflections included in the refinement: 0.2386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No