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Information card for entry 1555037
Preview
| Coordinates | 1555037.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | SJY-002 |
|---|---|
| Formula | C17 H14 N2 O3 |
| Calculated formula | C17 H14 N2 O3 |
| SMILES | c12ccccc1c(c(=O)n(c1ccccc1)n2)C(=O)OCC |
| Title of publication | Synthesis of Cinnolin-3(2H)-one Derivatives from Rh-Catalyzed Reaction of Azobenzenes with Diazotized Meldrum's Acid. |
| Authors of publication | Son, Jeong-Yu; Kim, Sunghwa; Jeon, Woo Hyung; Lee, Phil Ho |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 10 |
| Pages of publication | 2518 - 2521 |
| a | 8.9224 ± 0.0002 Å |
| b | 9.3813 ± 0.0002 Å |
| c | 18.2533 ± 0.0004 Å |
| α | 90° |
| β | 103.064 ± 0.0012° |
| γ | 90° |
| Cell volume | 1488.32 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0899 |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for significantly intense reflections | 0.1118 |
| Weighted residual factors for all reflections included in the refinement | 0.1245 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238285 (current) | 2019-11-24 | cif/ Adding structures of 1555037 via cif-deposit CGI script. |
1555037.cif |
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Users of the data should acknowledge the original authors of the
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