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Information card for entry 4033219
Preview
| Coordinates | 4033219.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H29 Cl N2 O3 |
|---|---|
| Calculated formula | C35 H29 Cl N2 O3 |
| SMILES | c12ccccc1C1=C(c3ccccc3)C[C@H]([C@]3([C@H]1N2)c1c(ccc(c1)Cl)N(Cc1ccccc1)C3=O)C(=O)OCC.c12ccccc1C1=C(c3ccccc3)C[C@@H]([C@@]3([C@@H]1N2)c1c(ccc(c1)Cl)N(Cc1ccccc1)C3=O)C(=O)OCC |
| 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 | 8.472 ± 0.0004 Å |
| b | 13.9354 ± 0.0007 Å |
| c | 14.9305 ± 0.0007 Å |
| α | 62.4022 ± 0.0014° |
| β | 77.6344 ± 0.0015° |
| γ | 88.9009 ± 0.0016° |
| Cell volume | 1519.37 ± 0.13 Å3 |
| 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 | 0.0943 |
| Residual factor for significantly intense reflections | 0.0584 |
| Weighted residual factors for significantly intense reflections | 0.1529 |
| Weighted residual factors for all reflections included in the refinement | 0.1704 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204807 (current) | 2018-01-06 | cif/ Updating files of 4033209, 4033210, 4033211, 4033212, 4033213, 4033214, 4033215, 4033216, 4033217, 4033218, 4033219, 4033220, 4033221 Original log message: Adding full bibliography for 4033209--4033221.cif. |
4033219.cif |
| 203649 | 2017-11-28 | cif/ Adding structures of 4033209, 4033210, 4033211, 4033212, 4033213, 4033214, 4033215, 4033216, 4033217, 4033218, 4033219, 4033220, 4033221 via cif-deposit CGI script. |
4033219.cif |
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Users of the data should acknowledge the original authors of the
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