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Information card for entry 7247850
Preview
| Coordinates | 7247850.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,3-benozoxazine |
|---|---|
| Formula | C21 H21 N O5 |
| Calculated formula | C21 H21 N O5 |
| Title of publication | The mechanochemical synthesis of environmentally benign fully biobased 4th generation benzoxazines and their polymers: mechanistic insights into the catalytic activity of latent catalysts |
| Authors of publication | Duhan, Vaishaly; Yadav, Shivani; Len, Christophe; Lochab, Bimlesh |
| Journal of publication | Green Chemistry |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 1 |
| Pages of publication | 483 - 497 |
| a | 7.9414 ± 0.0006 Å |
| b | 9.2292 ± 0.0007 Å |
| c | 13.4539 ± 0.0011 Å |
| α | 71.148 ± 0.003° |
| β | 82.961 ± 0.003° |
| γ | 81.232 ± 0.003° |
| Cell volume | 919.44 ± 0.13 Å3 |
| Cell temperature | 289 ± 2 K |
| Ambient diffraction temperature | 289.27 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 | 0.0614 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.1248 |
| Weighted residual factors for all reflections included in the refinement | 0.1397 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289564 (current) | 2024-02-04 | cif/ Updating files of 7247850, 7247851, 7247852 Original log message: Adding full bibliography for 7247850--7247852.cif. |
7247850.cif |
| 288236 | 2023-12-12 | cif/ Adding structures of 7247850, 7247851, 7247852 via cif-deposit CGI script. |
7247850.cif |
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Users of the data should acknowledge the original authors of the
structural data.