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Information card for entry 2244150
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| Coordinates | 2244150.cif |
|---|---|
| Structure factors | 2244150.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-Butyl-2,3-bis(dicyclohexylamino)cyclopropeniminium chloride benzene monosolvate |
|---|---|
| Formula | C37 H60 Cl N3 |
| Calculated formula | C37 H60 Cl N3 |
| Title of publication | Crystal structure of <i>N</i>-butyl-2,3-bis(dicyclohexylamino)cyclopropeniminium chloride benzene monosolvate |
| Authors of publication | Muñoz Sánchez, Gaby M.; Zdilla, Michael J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 9 |
| a | 12.253 ± 0.003 Å |
| b | 22.699 ± 0.007 Å |
| c | 12.884 ± 0.003 Å |
| α | 90° |
| β | 104.164 ± 0.007° |
| γ | 90° |
| Cell volume | 3474.5 ± 1.6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0708 |
| Residual factor for significantly intense reflections | 0.0548 |
| Weighted residual factors for significantly intense reflections | 0.126 |
| Weighted residual factors for all reflections included in the refinement | 0.1362 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71076 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277367 (current) | 2022-08-24 | cif/ hkl/ Adding structures of 2244150 via cif-deposit CGI script. |
2244150.cif 2244150.hkl |
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