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Information card for entry 7117410
Preview
| Coordinates | 7117410.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H13 N O2 |
|---|---|
| Calculated formula | C12 H13 N O2 |
| SMILES | O=C(O)c1c2c(n(CCC)ccc2)cc1 |
| Title of publication | Organocatalysts with carbon-centered activity for CO2 reduction with boranes |
| Authors of publication | Yanxin Yang; Maotong Xu; Datong Song |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 11293 |
| a | 9.1916 ± 0.001 Å |
| b | 12.6389 ± 0.0014 Å |
| c | 9.1878 ± 0.001 Å |
| α | 90° |
| β | 100.21 ± 0.006° |
| γ | 90° |
| Cell volume | 1050.5 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0802 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.0979 |
| Weighted residual factors for all reflections included in the refinement | 0.1107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 139962 (current) | 2015-07-03 | cif/ Adding structures of 7117410 via cif-deposit CGI script. |
7117410.cif |
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Users of the data should acknowledge the original authors of the
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