Information card for entry 4033679

Structure parameters

• Formula: C26 H20 Cl3 F N2 O4 S
• Calculated formula: C26 H20 Cl3 F N2 O4 S
• SMILES: ClC(Cl)Cl.S(=O)(=O)(/N=C1/N(c2ccccc2C1(F)c1c(=O)c2c(oc1)cccc2)C)c1ccc(cc1)C
• Title of publication: Copper-Carbene-Triggered Electrophilic Cyclization of o-Hydroxyarylenaminones with 3-Diazoindolin-2-imines: Synthesis of 3-Indolyl-4 H-chromen-4-ones and Pyrido[2,3- b:6,5- b']diindoles.
• Authors of publication: Qian, Jing; Lin, Zhenwei; Wang, Zaibin; Peng, Zhixing; Wu, Li; Lu, Ping; Wang, Yanguang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 10
• Pages of publication: 6395 - 6404
• a: 6.111 ± 0.0003 Å
• b: 16.2539 ± 0.0009 Å
• c: 26.4398 ± 0.0013 Å
• α: 90°
• β: 94.775 ± 0.002°
• γ: 90°
• Cell volume: 2617.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 295.7 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.2022
• Weighted residual factors for all reflections included in the refinement: 0.2163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No