Information card for entry 7132334

Structure parameters

• Formula: C24 H22 N2
• Calculated formula: C24 H22 N2
• SMILES: c12ccccc1c1c(CC[C@H]([C@H]1c1ccccc1)Nc1ccccc1)[nH]2.c12ccccc1c1c(CC[C@@H]([C@@H]1c1ccccc1)Nc1ccccc1)[nH]2
• Title of publication: Synthesis of 3-Aminotetrahydro-1H-carbazols by Visible-Light Photocatalyzed Cycloaddition of Cyclopropylanilines with 2-Alkenylarylisocyanides
• Authors of publication: Zhang, Xiaofei; Wang, Yao; Liu, Jiaxin; Tian, Chengpeng; Li, Xiang; Xie, Pan; Zhu, Zhen-Yu; Yao, Tuanli
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 9.4607 ± 0.0007 Å
• b: 10.9217 ± 0.0008 Å
• c: 17.9906 ± 0.0014 Å
• α: 90°
• β: 96.556 ± 0.002°
• γ: 90°
• Cell volume: 1846.8 ± 0.2 ų
• Cell temperature: 276 ± 2 K
• Ambient diffraction temperature: 276 ± 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: 0.122
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 0.828
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No