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Information card for entry 7154972
Preview
| Coordinates | 7154972.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H22 O2 |
|---|---|
| Calculated formula | C23 H22 O2 |
| SMILES | c12c(cccc1)CC[C@@]1(CCO[C@H](C1)c1cccc3ccccc13)O2.c12c(cccc1)CC[C@]1(CCO[C@@H](C1)c1cccc3ccccc13)O2 |
| Title of publication | A tandem Prins spirocyclization for the stereoselective synthesis of tetrahydrospiro[chroman-2,4'-pyran] derivatives. |
| Authors of publication | Subba Reddy, B. V.; Hanuman Reddy, V.; Medaboina, Durgaprasad; Sridhar, B.; Rami Reddy, Y. V. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2016 |
| Journal volume | 14 |
| Journal issue | 12 |
| Pages of publication | 3234 - 3237 |
| a | 28.1542 ± 0.0016 Å |
| b | 8.5012 ± 0.0005 Å |
| c | 17.4613 ± 0.001 Å |
| α | 90° |
| β | 122.609 ± 0.001° |
| γ | 90° |
| Cell volume | 3520.5 ± 0.4 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0577 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1251 |
| Weighted residual factors for all reflections included in the refinement | 0.1348 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| 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. |
7154972.cif |
| 181783 | 2016-04-05 | cif/ Updating files of 7154972 Original log message: Adding full bibliography for 7154972.cif. |
7154972.cif |
| 176378 | 2016-02-11 | cif/ Adding structures of 7154972 via cif-deposit CGI script. |
7154972.cif |
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Users of the data should acknowledge the original authors of the
structural data.