Information card for entry 4033682

Structure parameters

• Formula: C26 H22 N2 O4 S
• Calculated formula: C26 H22 N2 O4 S
• SMILES: S(=O)(=O)(Nc1n(c2c(cccc2c1C1C(=O)c2c(OC=1)cccc2)C)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: 6.911 ± 0.0004 Å
• b: 14.8847 ± 0.0009 Å
• c: 21.0989 ± 0.0012 Å
• α: 90°
• β: 90.882 ± 0.005°
• γ: 90°
• Cell volume: 2170.1 ± 0.2 ų
• Cell temperature: 149.6 K
• Ambient diffraction temperature: 149.6 K
• Number of distinct elements: 5
• 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: 0.0619
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No