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Information card for entry 7116347
Preview
| Coordinates | 7116347.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H17 F N2 O4 S2 |
|---|---|
| Calculated formula | C22 H17 F N2 O4 S2 |
| SMILES | [C@@]123C(=O)c4cc(ccc4N3CC[C@H]1c1cc(ccc1N2S(=O)(=O)c1cccs1)F)OC.[C@]123C(=O)c4cc(ccc4N3CC[C@@H]1c1cc(ccc1N2S(=O)(=O)c1cccs1)F)OC |
| Title of publication | Creation of molecular complexities via a new Cu-catalyzed cascade reaction: a direct access to novel 2,2'-spirobiindole derivatives |
| Authors of publication | Bagineni Prasad; Raju Adepu; Atul Kumar Sharma; Manojit Pal |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 1259 |
| a | 9.0012 ± 0.0002 Å |
| b | 11.6897 ± 0.0003 Å |
| c | 19.0204 ± 0.0005 Å |
| α | 90° |
| β | 92.744 ± 0.001° |
| γ | 90° |
| Cell volume | 1999.06 ± 0.09 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0449 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.1138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7116347.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7116347.cif |
| 129595 | 2015-01-13 | cif/ Adding structures of 7116347 via cif-deposit CGI script. |
7116347.cif |
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Users of the data should acknowledge the original authors of the
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