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Information card for entry 4513550
Preview
| Coordinates | 4513550.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H21 Cl O4 |
|---|---|
| Calculated formula | C20 H21 Cl O4 |
| SMILES | Clc1ccc(cc1)C(=O)c1ccc(OC(C(=O)OC(C)C)(C)C)cc1 |
| Title of publication | A New Low Melting-Point Polymorph of Fenofibrate Prepared via Talc Induced Heterogeneous Nucleation |
| Authors of publication | Tipduangta, Pratchaya; Takieddin, Khaled; Fábián, László; Belton, Peter; Qi, Sheng |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 10 |
| Pages of publication | 5011 |
| a | 9.4803 ± 0.0006 Å |
| b | 9.7605 ± 0.0006 Å |
| c | 10.9327 ± 0.0008 Å |
| α | 110.84 ± 0.006° |
| β | 90.352 ± 0.005° |
| γ | 99.701 ± 0.005° |
| Cell volume | 929.53 ± 0.11 Å3 |
| Cell temperature | 140 ± 1 K |
| Ambient diffraction temperature | 140 ± 1 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 | 0.1217 |
| Residual factor for significantly intense reflections | 0.0653 |
| Weighted residual factors for significantly intense reflections | 0.149 |
| Weighted residual factors for all reflections included in the refinement | 0.1834 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4513550.cif |
| 170044 | 2015-11-06 | cif/ Updating files of 4513550 Original log message: Adding full bibliography for 4513550.cif. |
4513550.cif |
| 153774 | 2015-08-29 | cif/ Adding structures of 4513550 via cif-deposit CGI script. |
4513550.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.