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Information card for entry 4516884
Preview
| Coordinates | 4516884.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H20 N2 O2 |
|---|---|
| Calculated formula | C23 H20 N2 O2 |
| Title of publication | Autoxidation of Heterocyclic Aminals. |
| Authors of publication | Zhai, Feng; Jordan, Richard F. |
| Journal of publication | ACS omega |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 6 |
| Pages of publication | 3055 - 3063 |
| a | 9.266 ± 0.0011 Å |
| b | 15.0394 ± 0.0017 Å |
| c | 13.5414 ± 0.0016 Å |
| α | 90° |
| β | 104.785 ± 0.003° |
| γ | 90° |
| Cell volume | 1824.6 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1043 |
| Residual factor for significantly intense reflections | 0.0591 |
| Weighted residual factors for significantly intense reflections | 0.1177 |
| Weighted residual factors for all reflections included in the refinement | 0.1356 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239612 (current) | 2019-11-24 | cif/ Adding structures of 4516884 via cif-deposit CGI script. |
4516884.cif |
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Users of the data should acknowledge the original authors of the
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