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Information card for entry 7243203
Preview
| Coordinates | 7243203.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H14 O7 |
|---|---|
| Calculated formula | C17 H14 O7 |
| SMILES | c1cccc2c1cc1c(c2)C(=O)OC(C(=O)OC)(CC(=O)OC)O1 |
| Title of publication | Synthesis of functionalized benzo[1,3]dioxin-4-ones from salicylic acid and acetylenic esters and their direct amidation |
| Authors of publication | Bhaskaran, Rasmi P.; Nayak, Kalinga H.; Babu, Beneesh P. |
| Journal of publication | RSC Advances |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 40 |
| Pages of publication | 24570 - 24574 |
| a | 6.2678 ± 0.0007 Å |
| b | 13.2735 ± 0.0014 Å |
| c | 18.564 ± 0.002 Å |
| α | 90° |
| β | 90.548 ± 0.004° |
| γ | 90° |
| Cell volume | 1544.4 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0658 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.1311 |
| Weighted residual factors for all reflections included in the refinement | 0.1492 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267578 (current) | 2021-07-16 | cif/ Adding structures of 7243203 via cif-deposit CGI script. |
7243203.cif |
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Users of the data should acknowledge the original authors of the
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