Information card for entry 4035781

Structure parameters

• Formula: C42 H34 N2 O
• Calculated formula: C42 H34 N2 O
• SMILES: c1ccccc1CN1C(=O)C(c2ccccc12)c1c(c2ccc(C)cc2)c2c(c(c1)c1ccc(C)cc1)c1ccccc1n2C
• Title of publication: Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.
• Authors of publication: Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 11
• Pages of publication: 5909 - 5919
• a: 11.9933 ± 0.0012 Å
• b: 26.441 ± 0.003 Å
• c: 10.9468 ± 0.0011 Å
• α: 90°
• β: 91.761 ± 0.004°
• γ: 90°
• Cell volume: 3469.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1546
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.2047
• Weighted residual factors for all reflections included in the refinement: 0.2342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No