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Information card for entry 7151695
Preview
| Coordinates | 7151695.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H16 N2 O |
|---|---|
| Calculated formula | C20 H16 N2 O |
| SMILES | COc1ccccc1c1cccc2cc(c3ccccc3)nn12 |
| Title of publication | A copper-mediated cyclization reaction of hydrazine with enediynones providing pyrazolo[1,5-a]pyridines. |
| Authors of publication | Wu, Hung-Chou; Hwang, Long-Chih; Wu, Ming-Jung |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 3 |
| Pages of publication | 670 - 672 |
| a | 23.0916 ± 0.0013 Å |
| b | 7.3204 ± 0.0004 Å |
| c | 38.0041 ± 0.0018 Å |
| α | 90° |
| β | 97.32 ± 0.003° |
| γ | 90° |
| Cell volume | 6371.8 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0688 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.1279 |
| Weighted residual factors for all reflections included in the refinement | 0.1535 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| 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. |
7151695.cif |
| 180302 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/16. |
7151695.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151695.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151695.cif |
| 14994 | 2011-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7151695, 7151696, 7151697 via cif-deposit CGI script. |
7151695.cif |
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