Information card for entry 7245027

Structure parameters

• Formula: C23 H18 N2 O
• Calculated formula: C23 H18 N2 O
• SMILES: O(c1ccc(c2cc3n4c2c(ccc4nc3c2ccccc2)C)cc1)C
• Title of publication: Catalyst- and oxidant-free electrooxidative site-selective [3/4 + 2] annulation to fused polycyclic heteroaromatics
• Authors of publication: Guan, Wenjing; Ying, Ke; Yuan, Chengcheng; Hang, Jinlin; Liu, Chengkou; Huang, Xiangxing; Fang, Zheng; Guo, Kai
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 13
• Pages of publication: 5191 - 5196
• a: 8.1325 ± 0.0004 Å
• b: 9.3708 ± 0.0005 Å
• c: 11.6459 ± 0.0007 Å
• α: 74.368 ± 0.002°
• β: 81.158 ± 0.002°
• γ: 83.467 ± 0.002°
• Cell volume: 842.08 ± 0.08 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No