Information card for entry 4037700

Structure parameters

• Formula: C23 H20 N2 O
• Calculated formula: C23 H20 N2 O
• SMILES: N1(CN(CC(=C1)C(=O)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: One-pot Methylenation-Cyclization Employing Two Molecules of CO2 with Arylamines and Enaminones.
• Authors of publication: Zhao, Yulei; Liu, Xu; Zheng, Lijun; Du, Yulan; Shi, Xinrui; Liu, Yunlin; Yan, Zhengquan; You, Jinmao; Jiang, Yuan-Ye
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 10.573 ± 0.0009 Å
• b: 16.5389 ± 0.0014 Å
• c: 20.6478 ± 0.0018 Å
• α: 90°
• β: 90.648 ± 0.002°
• γ: 90°
• Cell volume: 3610.4 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No