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Information card for entry 7212908
Preview
| Coordinates | 7212908.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H26 F2 N2 O6 S |
|---|---|
| Calculated formula | C26 H26 F2 N2 O6 S |
| Title of publication | New multicomponent domino reactions (MDRs) in water: highly chemo-, regio- and stereoselective synthesis of spiro{[1,3]dioxanopyridine}-4,6-diones and pyrazolo[3,4-b]pyridines |
| Authors of publication | Ma, Ning; Jiang, Bo; Zhang, Ge; Tu, Shu-Jiang; Wever, Walter; Li, Guigen |
| Journal of publication | Green Chemistry |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 8 |
| Pages of publication | 1357 |
| a | 14.6241 ± 0.0013 Å |
| b | 20.681 ± 0.002 Å |
| c | 8.745 ± 0.0011 Å |
| α | 90° |
| β | 90.538 ± 0.001° |
| γ | 90° |
| Cell volume | 2644.7 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.2589 |
| Residual factor for significantly intense reflections | 0.0896 |
| Weighted residual factors for significantly intense reflections | 0.1396 |
| Weighted residual factors for all reflections included in the refinement | 0.1761 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7212908.cif |
| 180460 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/29. |
7212908.cif |
| 93663 | 2014-01-13 | cif/ Adding structures of 7212908 via cif-deposit CGI script. |
7212908.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.