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Information card for entry 1516706
Preview
| Coordinates | 1516706.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H41 N3 O5 Si2 |
|---|---|
| Calculated formula | C25 H41 N3 O5 Si2 |
| SMILES | [Si](/C(=C/c1c(=O)[nH]c(nc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C)C#C[Si](C)(C)C)(C)(C)C |
| Title of publication | Microwave Assisted Tandem Heck-Sonogashira Reactions of N,N-Di-Boc-Protected 6-Amino-5-iodo-2-methyl Pyrimidin-4-ol in An Efficient Approach to Functionalized Pyrido[2,3-d]Pyrimidines. |
| Authors of publication | Liu, Yang; Jin, Shiyu; Wang, Zi; Song, Linhua; Hu, Youhong |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 13 |
| Pages of publication | 3524 - 3527 |
| a | 10.7784 ± 0.0009 Å |
| b | 30.335 ± 0.003 Å |
| c | 10.6785 ± 0.0009 Å |
| α | 90° |
| β | 115.168 ± 0.002° |
| γ | 90° |
| Cell volume | 3160 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0829 |
| Residual factor for significantly intense reflections | 0.0574 |
| Weighted residual factors for significantly intense reflections | 0.1422 |
| Weighted residual factors for all reflections included in the refinement | 0.1538 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.944 |
| 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. |
1516706.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. |
1516706.cif |
| 119284 | 2014-07-05 | cif/ Updating files of 1516706 Original log message: Adding full bibliography for 1516706.cif. |
1516706.cif |
| 118031 | 2014-06-25 | cif/ Adding structures of 1516706 via cif-deposit CGI script. |
1516706.cif |
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Users of the data should acknowledge the original authors of the
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