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Information card for entry 4514007
Preview
| Coordinates | 4514007.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H32 N2 O3 |
|---|---|
| Calculated formula | C15 H32 N2 O3 |
| SMILES | C(=O)(N[C@H](CN(CCO)CC)C(C)(C)C)OC(C)(C)C |
| Title of publication | A Highly Active Polymer-Supported Catalyst for Asymmetric Robinson Annulations in Continuous Flow |
| Authors of publication | Cañellas, Santiago; Ayats, Carles; Henseler, Andrea H.; Pericàs, Miquel A. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2017 |
| a | 9.6788 ± 0.0017 Å |
| b | 11.2486 ± 0.0018 Å |
| c | 16.793 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1828.3 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0461 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.0937 |
| Weighted residual factors for all reflections included in the refinement | 0.0985 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190782 (current) | 2017-01-21 | cif/ Adding structures of 4514007 via cif-deposit CGI script. |
4514007.cif |
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