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Information card for entry 7226253
Preview
| Coordinates | 7226253.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H19 N O2 |
|---|---|
| Calculated formula | C17 H19 N O2 |
| SMILES | Oc1c(C(N2CCOCC2)c2ccccc2)cccc1 |
| Title of publication | Tetranuclear Zn2Ln2 Coordination Clusters as catalysts in Petasis Borono-Mannich Multicomponent Reaction |
| Authors of publication | Kumar, Prashant; Griffiths, Kieran; Lymperopoulou, Smaragda; Kostakis, George E. |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 13.4472 ± 0.0005 Å |
| b | 9.318 ± 0.0004 Å |
| c | 11.5805 ± 0.0004 Å |
| α | 90° |
| β | 90.109 ± 0.004° |
| γ | 90° |
| Cell volume | 1451.05 ± 0.1 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | I 1 a 1 |
| Hall space group symbol | I -2ya |
| Residual factor for all reflections | 0.0424 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.1061 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185823 (current) | 2016-08-16 | cif/ Adding structures of 7226253 via cif-deposit CGI script. |
7226253.cif |
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