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Information card for entry 7241147
Preview
| Coordinates | 7241147.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H36 Cl F2 N O4 |
|---|---|
| Calculated formula | C24 H36 Cl F2 N O4 |
| SMILES | [Cl-].Fc1ccc(C([C@@H](OC(=O)[C@@H]([NH3+])C)C)c2ccc(F)cc2)cc1.OC(C)C.OC(C)C |
| Title of publication | Design and synthesis of florylpicoxamid, a fungicide derived from renewable raw materials |
| Authors of publication | Babij, Nicholas R.; Choy, Nakyen; Cismesia, Megan A.; Couling, David J.; Hough, Nicole M.; Johnson, Peter L.; Klosin, Jerzy; Li, Xiaoyong; Lu, Yu; McCusker, Elizabeth O.; Meyer, Kevin G.; Renga, James M.; Rogers, Richard B.; Stockman, Kenneth E.; Webb, Nicola J.; Whiteker, Gregory T.; Zhu, Yuanming |
| Journal of publication | Green Chemistry |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 18 |
| Pages of publication | 6047 - 6054 |
| a | 8.3081 ± 0.0003 Å |
| b | 11.7497 ± 0.0004 Å |
| c | 26.4644 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2583.39 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0463 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0827 |
| Weighted residual factors for all reflections included in the refinement | 0.0865 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7241147.cif |
| 257620 | 2020-10-06 | cif/ Updating files of 7241146, 7241147 Original log message: Adding full bibliography for 7241146--7241147.cif. |
7241147.cif |
| 255732 | 2020-08-29 | cif/ Adding structures of 7241146, 7241147 via cif-deposit CGI script. |
7241147.cif |
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Users of the data should acknowledge the original authors of the
structural data.