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Information card for entry 1567671
Preview
| Coordinates | 1567671.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4-(3-(furan-2-ylmethyl)-3,4-dihydro-2H-benzo[e][1,3]oxazin-2-yl)phenol |
|---|---|
| Formula | C19 H17 N O3 |
| Calculated formula | C19 H17 N O3 |
| Title of publication | Solvent-free synthesis of a formaldehyde-free benzoxazine monomer: study of its curing acceleration effect for commercial benzoxazine |
| Authors of publication | Tavernier, Romain; Granado, Lérys; Tillard, Monique; Van Renterghem, Louis; Métro, Thomas-Xavier; Lamaty, Frédéric; Bonnaud, Leïla; Raquez, Jean-Marie; David, Ghislain; Caillol, Sylvain |
| Journal of publication | Polymer Chemistry |
| Year of publication | 2022 |
| Journal volume | 13 |
| Journal issue | 40 |
| Pages of publication | 5745 - 5756 |
| a | 8.9115 ± 0.0006 Å |
| b | 18.9555 ± 0.0013 Å |
| c | 9.6086 ± 0.0008 Å |
| α | 90° |
| β | 104.43 ± 0.003° |
| γ | 90° |
| Cell volume | 1571.9 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.046 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.1033 |
| Weighted residual factors for all reflections included in the refinement | 0.1067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279028 (current) | 2022-11-07 | cif/ Updating files of 1567671 Original log message: Adding full bibliography for 1567671.cif. |
1567671.cif |
| 278058 | 2022-09-22 | cif/ Adding structures of 1567671 via cif-deposit CGI script. |
1567671.cif |
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Users of the data should acknowledge the original authors of the
structural data.