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Information card for entry 1547821
Preview
| Coordinates | 1547821.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H17 N O3 |
|---|---|
| Calculated formula | C18 H17 N O3 |
| SMILES | OC1=C(C2(C3=C(C1=O)CCC3)c1c(N(C2=O)C)cccc1)C |
| Title of publication | Stitching Oxindoles and Ynones in a Domino Process: Access to Spirooxindoles and Application to a Short Synthesis of Spindomycin B. |
| Authors of publication | Samineni, Ramesh; Madapa, Jaipal; Pabbaraja, Srihari; Mehta, Goverdhan |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 22 |
| Pages of publication | 6152 - 6155 |
| a | 16.581 ± 0.003 Å |
| b | 10.7796 ± 0.0019 Å |
| c | 17.25 ± 0.003 Å |
| α | 90° |
| β | 102.204 ± 0.007° |
| γ | 90° |
| Cell volume | 3013.5 ± 0.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1131 |
| Residual factor for significantly intense reflections | 0.0872 |
| Weighted residual factors for significantly intense reflections | 0.2361 |
| Weighted residual factors for all reflections included in the refinement | 0.2519 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1547821.cif |
| 204883 | 2018-01-06 | cif/ Updating files of 1547820, 1547821 Original log message: Adding full bibliography for 1547820--1547821.cif. |
1547821.cif |
| 202419 | 2017-10-31 | cif/ Adding structures of 1547821 via cif-deposit CGI script. |
1547821.cif |
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Users of the data should acknowledge the original authors of the
structural data.