Information card for entry 7248207

Structure parameters

• Formula: C24 H17 N
• Calculated formula: C24 H17 N
• SMILES: N1=CCc2ccccc2c2c(cc3c(cccc3)c12)c1ccccc1
• Title of publication: Synthesis of the dibenzo[b,d]azepine skeleton via a catalyst-free ring expansion domino reaction
• Authors of publication: Guo, Tao; Hu, Penghua; Li, Jiaxin; Zhou, Yujia; Zhang, Panke; Zhao, Yunhui; Zhu, Congjun
• Journal of publication: Green Chemistry
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 3786 - 3790
• a: 8.2109 ± 0.0002 Å
• b: 13.5877 ± 0.0003 Å
• c: 15.4845 ± 0.0003 Å
• α: 90°
• β: 90.659 ± 0.001°
• γ: 90°
• Cell volume: 1727.45 ± 0.07 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 2 K
• Number of distinct elements: 3
• 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: 0.0722
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: cukα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No