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Information card for entry 4033211
Preview
| Coordinates | 4033211.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H33 Cl N2 O3 |
|---|---|
| Calculated formula | C33 H33 Cl N2 O3 |
| SMILES | CCCCN1C(=O)[C@]2(c3cc(ccc13)Cl)[C@H](C(=O)OCC)C[C@H](c1ccc(C)cc1)c1c2[nH]c2c1cccc2.CCCCN1C(=O)[C@@]2(c3cc(ccc13)Cl)[C@@H](C(=O)OCC)C[C@@H](c1ccc(C)cc1)c1c2[nH]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 | 10.145 ± 0.005 Å |
| b | 12.381 ± 0.006 Å |
| c | 13.498 ± 0.007 Å |
| α | 75.693 ± 0.014° |
| β | 83.221 ± 0.016° |
| γ | 85.987 ± 0.016° |
| Cell volume | 1629.9 ± 1.4 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 | 0.2276 |
| Residual factor for significantly intense reflections | 0.1388 |
| Weighted residual factors for significantly intense reflections | 0.3446 |
| Weighted residual factors for all reflections included in the refinement | 0.3919 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| 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. |
4033211.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. |
4033211.cif |
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Users of the data should acknowledge the original authors of the
structural data.