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Information card for entry 4515841
Preview
| Coordinates | 4515841.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H12 N2 O2 S |
|---|---|
| Calculated formula | C14 H12 N2 O2 S |
| Title of publication | Regioselective Synthesis of Pyranone-Fused Indazoles via Reductive Cyclization and Alkyne Insertion. |
| Authors of publication | Wu, Tz-Yi; Dhole, Sandip; Selvaraju, Manikandan; Sun, Chung-Ming |
| Journal of publication | ACS combinatorial science |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 3 |
| Pages of publication | 156 - 163 |
| a | 5.8579 ± 0.0005 Å |
| b | 7.7589 ± 0.0006 Å |
| c | 27.231 ± 0.002 Å |
| α | 90° |
| β | 90.708 ± 0.003° |
| γ | 90° |
| Cell volume | 1237.58 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0477 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0764 |
| Weighted residual factors for all reflections included in the refinement | 0.0833 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225941 (current) | 2019-11-10 | cif/ Adding structures of 4515841 via cif-deposit CGI script. |
4515841.cif |
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Users of the data should acknowledge the original authors of the
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