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Information card for entry 7202999
Preview
| Coordinates | 7202999.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H20 N2 |
|---|---|
| Calculated formula | C14 H20 N2 |
| SMILES | N1c2c3N[C@H](CCc3ccc2CC[C@@H]1C)C.N1c2c3N[C@@H](CCc3ccc2CC[C@H]1C)C |
| Title of publication | On the quantitative recycling of Raney–Nickel catalysts on a lab-scale |
| Authors of publication | Waldemar M. Czaplik; Jörg-M. Neudörfl; Axel Jacobi von Wangelin |
| Journal of publication | Green Chemistry |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 11 |
| Pages of publication | 1163 |
| a | 8.952 ± 0.002 Å |
| b | 10.126 ± 0.003 Å |
| c | 14.757 ± 0.004 Å |
| α | 70.511 ± 0.01° |
| β | 79.526 ± 0.01° |
| γ | 76.96 ± 0.01° |
| Cell volume | 1220.2 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2461 |
| Residual factor for significantly intense reflections | 0.0879 |
| Weighted residual factors for significantly intense reflections | 0.2204 |
| Weighted residual factors for all reflections included in the refinement | 0.2937 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7202999.cif |
| 180360 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/29. |
7202999.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202999.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202999.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7202999.cif |
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