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Information card for entry 1514812
Preview
| Coordinates | 1514812.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C5 H11 F4 N2 P |
|---|---|
| Calculated formula | C5 H11 F4 N2 P |
| SMILES | C1(N(C)CCN1C)=[PH](F)(F)(F)F |
| Title of publication | (NHCMe)SiCl4: a versatile carbene transfer reagent – synthesis from silicochloroform |
| Authors of publication | Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker |
| Journal of publication | Chemical Science |
| Year of publication | 2013 |
| Journal volume | 4 |
| Journal issue | 1 |
| Pages of publication | 77 |
| a | 7.375 ± 0.003 Å |
| b | 7.56 ± 0.002 Å |
| c | 8.6846 ± 0.0015 Å |
| α | 74.688 ± 0.016° |
| β | 76.04 ± 0.02° |
| γ | 62.6 ± 0.02° |
| Cell volume | 410.6 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0556 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.1506 |
| Weighted residual factors for all reflections included in the refinement | 0.1532 |
| 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 |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1514812.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1514812.cif |
| 110271 | 2014-04-18 | cif/ Adding structures of 1514807, 1514808, 1514809, 1514810, 1514811, 1514812, 1514813 via cif-deposit CGI script. |
1514812.cif |
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Users of the data should acknowledge the original authors of the
structural data.