Information card for entry 4033590

Structure parameters

• Formula: C28 H25 Cl N2 O6 S
• Calculated formula: C28 H25 Cl N2 O6 S
• SMILES: Clc1ccc(S(=O)(=O)/N=C2/N(c3ccccc3C2(OOC(C)(C)C)C2C(=O)c3c(OC=2)cccc3)C)cc1
• 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: 11.096 ± 0.003 Å
• b: 11.577 ± 0.004 Å
• c: 12.028 ± 0.003 Å
• α: 62.158 ± 0.01°
• β: 89.182 ± 0.009°
• γ: 72.717 ± 0.014°
• Cell volume: 1290.3 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 295.82 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No