Information card for entry 4035780

Structure parameters

• Formula: C41 H31 Cl N2 O
• Calculated formula: C41 H31 Cl N2 O
• SMILES: c1ccccc1CN1C(=O)C(c2cc(ccc12)Cl)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: 13.4284 ± 0.0013 Å
• b: 14.8108 ± 0.0014 Å
• c: 18.7925 ± 0.0018 Å
• α: 85.621 ± 0.003°
• β: 85.759 ± 0.003°
• γ: 64.039 ± 0.003°
• Cell volume: 3347.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1388
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1999
• Weighted residual factors for all reflections included in the refinement: 0.2209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No