Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4035839
Preview
| Coordinates | 4035839.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H14 F3 N O4 |
|---|---|
| Calculated formula | C22 H14 F3 N O4 |
| Title of publication | Synthesis of 2,4,5-Trisubstituted Oxazoles with Complementary Regioselectivity from α-Oxoketene Dithioacetals and β-(Methylthio)-β-(het)aryl-2-propenones. |
| Authors of publication | Kumar, Siripuram Vijay; Acharya, Anand; Ila, Hiriyakkanavar |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 12 |
| Pages of publication | 6607 - 6622 |
| a | 32.547 ± 0.002 Å |
| b | 4.2555 ± 0.0002 Å |
| c | 30.366 ± 0.0019 Å |
| α | 90° |
| β | 114.419 ± 0.007° |
| γ | 90° |
| Cell volume | 3829.6 ± 0.4 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1771 |
| Residual factor for significantly intense reflections | 0.0775 |
| Weighted residual factors for significantly intense reflections | 0.1544 |
| Weighted residual factors for all reflections included in the refinement | 0.19 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227259 (current) | 2019-11-11 | cif/ Adding structures of 4035837, 4035838, 4035839, 4035840 via cif-deposit CGI script. |
4035839.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.