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Information card for entry 7234813
Preview
| Coordinates | 7234813.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H17 Cl3 O10 |
|---|---|
| Calculated formula | C15 H17 Cl3 O10 |
| Title of publication | Highly Regio- and Stereoselective Synthesis of Cyclic Carbonates from Biomass-derived Polyols via Organocatalytic Cascade Reaction |
| Authors of publication | Zhou, Hui; Zhang, Hui; Mu, Sen; Zhang, Wen-Zhen; Ren, Wei-Min; Lu, Xiaobing |
| Journal of publication | Green Chemistry |
| Year of publication | 2019 |
| a | 8.238 ± 0.007 Å |
| b | 13.923 ± 0.012 Å |
| c | 17.649 ± 0.015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2024 ± 3 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1207 |
| Residual factor for significantly intense reflections | 0.0658 |
| Weighted residual factors for significantly intense reflections | 0.1611 |
| Weighted residual factors for all reflections included in the refinement | 0.1913 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| 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. |
7234813.cif |
| 220348 | 2019-10-29 | cif/ Adding structures of 7234809, 7234810, 7234811, 7234812, 7234813 via cif-deposit CGI script. |
7234813.cif |
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Users of the data should acknowledge the original authors of the
structural data.