Information card for entry 4035779

Structure parameters

• Formula: C41 H32 N2 O
• Calculated formula: C41 H32 N2 O
• SMILES: c1ccccc1CN1C(=O)C(c2ccccc12)c1c(c2ccc(C)cc2)c2c(c(c1)c1ccccc1)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: 13.6366 ± 0.0008 Å
• b: 24.0463 ± 0.0011 Å
• c: 36.97 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12122.8 ± 1.1 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: 0.1129
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No