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Information card for entry 1559212
Preview
| Coordinates | 1559212.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C233 H374 Cl10 N8 O18 |
|---|---|
| Calculated formula | C233 H374 Cl10 N8 O18 |
| Title of publication | N-Activated 1,3-Benzoxazine Monomer as a Key Agent in Polybenzoxazine Synthesis |
| Authors of publication | Trybuła, Danuta; Marszałek-Harych, Aleksandra; Gazińska, Małgorzata; Berski, Sławomir; Jędrzkiewicz, Dawid; Ejfler, Jolanta |
| Journal of publication | Macromolecules |
| Year of publication | 2020 |
| a | 46.281 ± 0.013 Å |
| b | 10.16 ± 0.003 Å |
| c | 31.262 ± 0.008 Å |
| α | 90° |
| β | 128.04 ± 0.03° |
| γ | 90° |
| Cell volume | 11577 ± 7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.2082 |
| Residual factor for significantly intense reflections | 0.0902 |
| Weighted residual factors for significantly intense reflections | 0.1085 |
| Weighted residual factors for all reflections included in the refinement | 0.1439 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256810 (current) | 2020-09-29 | cif/ Adding structures of 1559212, 1559213 via cif-deposit CGI script. |
1559212.cif |
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Users of the data should acknowledge the original authors of the
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