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Information card for entry 2006298
Preview
| Coordinates | 2006298.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | bis(phenyl)-1-carbamoylguanidinium phenylcarbamidonitrilate |
|---|---|
| Formula | C22 H21 N7 O2 |
| Calculated formula | C22 H21 N7 O2 |
| SMILES | c1(ccccc1)NC(=O)[N-]C#N.c1(ccccc1)NC(=O)NC(=[NH2+])Nc1ccccc1 |
| Title of publication | Bis(phenyl)-1-carbamoylguanidinium <i>N</i>-Phenylcarbamidonitrilate. Revision of an Earlier Proposal |
| Authors of publication | Frank H. Herbstein; Moshe Kapon; Quin-Chuang Yang |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 7 |
| Pages of publication | 922 - 925 |
| a | 7.638 ± 0.002 Å |
| b | 10.603 ± 0.003 Å |
| c | 14.364 ± 0.005 Å |
| α | 107.63 ± 0.02° |
| β | 94.57 ± 0.02° |
| γ | 107.12 ± 0.02° |
| Cell volume | 1041.2 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0519 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for all reflections | 0.1007 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Goodness-of-fit parameter for all reflections | 1.062 |
| Goodness-of-fit parameter for significantly intense reflections | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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