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Information card for entry 1553564
Preview
| Coordinates | 1553564.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H24 N2 O6 S |
|---|---|
| Calculated formula | C23 H24 N2 O6 S |
| SMILES | S(=O)(C)C.O=N(=O)c1ccc(c2[nH]c(c(c2C(=O)c2ccc(OC)cc2)C(=O)C)C)cc1 |
| Title of publication | Divergent reactivity of α-azidochalcones with metal β-diketonates: tunable synthesis of substituted pyrroles and indoles |
| Authors of publication | Rajaguru, Kandasamy; Mariappan, Arumugam; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 1 |
| Pages of publication | 124 |
| a | 8.5455 ± 0.0004 Å |
| b | 12.047 ± 0.0006 Å |
| c | 12.1501 ± 0.0006 Å |
| α | 60.733 ± 0.001° |
| β | 81.883 ± 0.002° |
| γ | 87.112 ± 0.002° |
| Cell volume | 1079.97 ± 0.09 Å3 |
| Cell temperature | 100.01 K |
| Ambient diffraction temperature | 100.01 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0552 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.1229 |
| Weighted residual factors for all reflections included in the refinement | 0.1296 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235140 (current) | 2019-11-23 | cif/ Adding structures of 1553562, 1553563, 1553564 via cif-deposit CGI script. |
1553564.cif |
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Users of the data should acknowledge the original authors of the
structural data.