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Information card for entry 7158034
Preview
| Coordinates | 7158034.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H20 Cl N O5 |
|---|---|
| Calculated formula | C28 H20 Cl N O5 |
| SMILES | Clc1c(cccc1)[C@@H]1C=C([C@]2(C(=O)N(c3c2cccc3)C)[C@@]21Oc1c(C2=O)cccc1)C(=O)OC.Clc1c(cccc1)[C@H]1C=C([C@@]2(C(=O)N(c3c2cccc3)C)[C@]21Oc1c(C2=O)cccc1)C(=O)OC |
| Title of publication | An easy and practical approach to access multifunctional cylcopentadiene- and cyclopentene-spirooxindoles <i>via</i> [3 + 2] annulation. |
| Authors of publication | Warghude, Prakash K.; Sabale, Abhijeet S.; Dixit, Ruchi; Vanka, Kumar; Bhat, Ramakrishna G. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2021 |
| Journal volume | 19 |
| Journal issue | 19 |
| Pages of publication | 4338 - 4345 |
| a | 9.8464 ± 0.0015 Å |
| b | 16.367 ± 0.002 Å |
| c | 14.348 ± 0.002 Å |
| α | 90° |
| β | 94.553 ± 0.006° |
| γ | 90° |
| Cell volume | 2305 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0583 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.0881 |
| Weighted residual factors for all reflections included in the refinement | 0.0954 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7158034.cif |
| 266163 | 2021-06-05 | cif/ Updating files of 7158031, 7158032, 7158033, 7158034 Original log message: Adding full bibliography for 7158031--7158034.cif. |
7158034.cif |
| 264385 | 2021-04-22 | cif/ Adding structures of 7158031, 7158032, 7158033, 7158034 via cif-deposit CGI script. |
7158034.cif |
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Users of the data should acknowledge the original authors of the
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