Information card for entry 4037984

Structure parameters

• Formula: C23 H23 N O3
• Calculated formula: C23 H23 N O3
• SMILES: O(C1(OC)[C@H]2c3c(ccc(c3)C)c3[nH]c4c(c3[C@@H]1CC(=O)C2)cccc4)C.O(C1(OC)[C@@H]2c3c(ccc(c3)C)c3[nH]c4c(c3[C@H]1CC(=O)C2)cccc4)C
• Title of publication: Access to [4,3,1]-Bridged Carbocycles via Rhodium(III)-Catalyzed C-H Activation of 2-Arylindols and Annulation with Quinone Monoacetals.
• Authors of publication: Zheng, Guangfan; Duan, Xujing; Chen, Lu; Sun, Jiaqiong; Zhai, Shuailei; Li, Xiaojiao; Jing, Jierui; Li, Xingwei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 9.2 Å
• b: 17.273 Å
• c: 23.09 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3669.27 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 0.656
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No