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Information card for entry 1518431
Preview
| Coordinates | 1518431.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H22 F N O4 |
|---|---|
| Calculated formula | C21 H22 F N O4 |
| SMILES | c12c(cc(cc1N(C(=O)[C@@]12C[C@H](c2ccc(cc2)F)OCC1)C)OC)OC.c12c(cc(cc1N(C(=O)[C@]12C[C@@H](c2ccc(cc2)F)OCC1)C)OC)OC |
| Title of publication | Stereoselective synthesis of spiro[tetrahydropyran-3,3'-oxindole] derivatives employing Prins cascade strategy. |
| Authors of publication | Reddy, B. V. Subba; Swathi, V.; Swain, Manisha; Bhadra, Manika Pal; Sridhar, B.; Satyanarayana, D.; Jagadeesh, B. |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 24 |
| Pages of publication | 6267 - 6269 |
| a | 5.848 ± 0.003 Å |
| b | 12.3 ± 0.006 Å |
| c | 25.729 ± 0.013 Å |
| α | 90° |
| β | 91.785 ± 0.008° |
| γ | 90° |
| Cell volume | 1849.8 ± 1.6 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.103 |
| Residual factor for significantly intense reflections | 0.0691 |
| Weighted residual factors for significantly intense reflections | 0.1448 |
| Weighted residual factors for all reflections included in the refinement | 0.159 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1518431.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518431.cif |
| 131533 | 2015-02-08 | cif/ Updating files of 1518431 Original log message: Adding full bibliography for 1518431.cif. |
1518431.cif |
| 128699 | 2014-12-13 | cif/ Adding structures of 1518431 via cif-deposit CGI script. |
1518431.cif |
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