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Information card for entry 4516887
Preview
| Coordinates | 4516887.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H32 N4 O2 |
|---|---|
| Calculated formula | C34 H32 N4 O2 |
| SMILES | O=c1n(c(nc2c1cccc2C(C)C)c1c2c(ccc1)cccc2c1nc2c(C(C)C)cccc2c(=O)n1C)C |
| 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 | 18.3177 ± 0.0014 Å |
| b | 11.2752 ± 0.0009 Å |
| c | 26.814 ± 0.002 Å |
| α | 90° |
| β | 100.871 ± 0.003° |
| γ | 90° |
| Cell volume | 5438.7 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0593 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.1036 |
| Weighted residual factors for all reflections included in the refinement | 0.1128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239615 (current) | 2019-11-24 | cif/ Adding structures of 4516887 via cif-deposit CGI script. |
4516887.cif |
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Users of the data should acknowledge the original authors of the
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