Information card for entry 4033210

Structure parameters

• Formula: C30 H28 N2 O3
• Calculated formula: C30 H28 N2 O3
• SMILES: c12ccccc1[C@]1(C(=O)N2)[C@@H](C(=O)OCC)C[C@@H](c2ccc(C)cc2)c2c1n(C)c1c2cccc1.c12ccccc1[C@@]1(C(=O)N2)[C@H](C(=O)OCC)C[C@H](c2ccc(C)cc2)c2c1n(C)c1c2cccc1
• 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: 12.755 ± 0.004 Å
• b: 17.504 ± 0.005 Å
• c: 12.366 ± 0.004 Å
• α: 90°
• β: 104.956 ± 0.011°
• γ: 90°
• Cell volume: 2667.4 ± 1.4 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: 0.2485
• Residual factor for significantly intense reflections: 0.1434
• Weighted residual factors for significantly intense reflections: 0.3515
• Weighted residual factors for all reflections included in the refinement: 0.3997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No