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Information card for entry 4033218
Preview
| Coordinates | 4033218.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H37 Cl N2 O3 |
|---|---|
| Calculated formula | C36 H37 Cl N2 O3 |
| SMILES | Cn1c2ccccc2c2c1[C@]1(c3c(ccc(c3)Cl)N(Cc3ccccc3)C1=O)[C@H]([C@@H]1[C@H]2CCCCCC1)C(=O)OCC.Cn1c2ccccc2c2c1[C@@]1(c3c(ccc(c3)Cl)N(Cc3ccccc3)C1=O)[C@@H]([C@H]1[C@@H]2CCCCCC1)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 | 15.6205 ± 0.0014 Å |
| b | 11.6653 ± 0.0009 Å |
| c | 16.5056 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3007.6 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1029 |
| Residual factor for significantly intense reflections | 0.0573 |
| Weighted residual factors for significantly intense reflections | 0.1326 |
| Weighted residual factors for all reflections included in the refinement | 0.1499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| 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. |
4033218.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. |
4033218.cif |
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Users of the data should acknowledge the original authors of the
structural data.