Information card for entry 4033213

Structure parameters

• Formula: C41 H33 N3 O4
• Calculated formula: C41 H33 N3 O4
• SMILES: c1ccccc1CN1C(=O)[C@]2(c3ccccc13)[C@H](C(=O)c1ccc(C)cc1)C[C@H](c1ccc(cc1)N(=O)=O)c1c2n(C)c2c1cccc2.c1ccccc1CN1C(=O)[C@@]2(c3ccccc13)[C@@H](C(=O)c1ccc(C)cc1)C[C@@H](c1ccc(cc1)N(=O)=O)c1c2n(C)c2c1cccc2
• Title of publication: TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.
• Authors of publication: Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 24
• Pages of publication: 13277 - 13287
• a: 21.8784 ± 0.0019 Å
• b: 16.5957 ± 0.0014 Å
• c: 9.1581 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3325.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.136
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No