Information card for entry 4033681

Structure parameters

• Formula: C26 H22 N2 O5 S
• Calculated formula: C26 H22 N2 O5 S
• SMILES: S(=O)(=O)(Nc1n(c2ccccc2c1C1=COc2c(C1=O)ccc(OC)c2)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: 15.3464 ± 0.0015 Å
• b: 10.3631 ± 0.0011 Å
• c: 14.3374 ± 0.0015 Å
• α: 90°
• β: 99.042 ± 0.01°
• γ: 90°
• Cell volume: 2251.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• 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: 0.0721
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1387
• 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