Information card for entry 4033589

Structure parameters

• Formula: C18 H14 N4
• Calculated formula: C18 H14 N4
• SMILES: c1c2c(n(c3c2nc2c(c4ccccc4n2C)n3)C)ccc1
• 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: 14.1669 ± 0.0014 Å
• b: 6.075 ± 0.0006 Å
• c: 15.6269 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1344.9 ± 0.2 ų
• Cell temperature: 155 K
• Ambient diffraction temperature: 155 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No