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Information card for entry 7230382
Preview
| Coordinates | 7230382.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C8 H10 O7 |
|---|---|
| Calculated formula | C8 H10 O7 |
| Title of publication | Novel high reactive bifunctional five- and six-membered bicyclic dicarbonate – synthesis and characterisation |
| Authors of publication | Tryznowski, M.; Świderska, A. |
| Journal of publication | RSC Advances |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 21 |
| Pages of publication | 11749 |
| a | 10.5437 ± 0.0012 Å |
| b | 8.0245 ± 0.0009 Å |
| c | 10.8487 ± 0.0012 Å |
| α | 90° |
| β | 93.598 ± 0.002° |
| γ | 90° |
| Cell volume | 916.08 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.034 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0844 |
| Weighted residual factors for all reflections included in the refinement | 0.0851 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.193 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7230382.cif |
| 207149 | 2018-03-28 | cif/ Adding structures of 7230382 via cif-deposit CGI script. |
7230382.cif |
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Users of the data should acknowledge the original authors of the
structural data.