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Information card for entry 7235503
Preview
| Coordinates | 7235503.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H17 Cl O6 |
|---|---|
| Calculated formula | C17 H17 Cl O6 |
| Title of publication | An organocatalyst from renewable materials for the synthesis of coumarins and chromenes: three-component reaction and multigram scale synthesis |
| Authors of publication | Sangsuwan, Rapeepat; Sangher, Sasithorn; Aree, Thammarat; Mahidol, Chulabhorn; Ruchirawat, Somsak; Kittakoop, Prasat |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 26 |
| Pages of publication | 13708 |
| a | 8.4753 ± 0.0003 Å |
| b | 9.1065 ± 0.0003 Å |
| c | 12.4545 ± 0.0004 Å |
| α | 78.551 ± 0.002° |
| β | 75.245 ± 0.002° |
| γ | 66.078 ± 0.002° |
| Cell volume | 844.75 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0761 |
| Residual factor for significantly intense reflections | 0.0504 |
| Weighted residual factors for significantly intense reflections | 0.1389 |
| Weighted residual factors for all reflections included in the refinement | 0.1585 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7235503.cif |
| 233082 | 2019-11-23 | cif/ Adding structures of 7235500, 7235501, 7235502, 7235503 via cif-deposit CGI script. |
7235503.cif |
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Users of the data should acknowledge the original authors of the
structural data.