Information card for entry 4035787

Structure parameters

• Formula: C33 H27 Cl N2 O
• Calculated formula: C33 H27 Cl N2 O
• SMILES: Cn1c2ccccc2c2c1[C@]1(C(=O)Nc3c1cccc3)[C@@H](C[C@@H]2c1ccc(cc1)Cl)c1ccc(C)cc1.Cn1c2ccccc2c2c1[C@@]1(C(=O)Nc3c1cccc3)[C@H](C[C@H]2c1ccc(cc1)Cl)c1ccc(C)cc1
• 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: 19.7225 ± 0.0007 Å
• b: 19.7225 ± 0.0007 Å
• c: 15.4255 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6000.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No