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Information card for entry 7121162
Preview
| Coordinates | 7121162.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H20 N2 O2 |
|---|---|
| Calculated formula | C19 H20 N2 O2 |
| SMILES | O=C1N(c2ccccc2[C@]21O[C@H](CN2c1ccc(cc1)C)C)C |
| Title of publication | A copper-catalyzed reaction of 3-diazoindolin-2-imines with 2-(phenylamino)ethanols: convenient access to spiro[indoline-3,2'-oxazolidin]-2-imines. |
| Authors of publication | Sheng, Guorong; Ma, Shicong; Bai, Songlin; Mao, Jianming; Lu, Ping; Wang, Yanguang |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 12 |
| Pages of publication | 1529 - 1532 |
| a | 9.5082 ± 0.0014 Å |
| b | 9.5276 ± 0.0015 Å |
| c | 18.393 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1666.2 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0825 |
| Residual factor for significantly intense reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.1166 |
| Weighted residual factors for all reflections included in the refinement | 0.1409 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121162.cif |
| 228599 | 2019-11-17 | cif/ Updating files of 7121158, 7121159, 7121160, 7121161, 7121162 Original log message: Adding full bibliography for 7121158--7121162.cif. |
7121162.cif |
| 205288 | 2018-01-17 | cif/ Adding structures of 7121158, 7121159, 7121160, 7121161, 7121162 via cif-deposit CGI script. |
7121162.cif |
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Users of the data should acknowledge the original authors of the
structural data.