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Information card for entry 2241093
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| Coordinates | 2241093.cif |
|---|---|
| Structure factors | 2241093.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{2-[amino(iminiumyl)methyl]-1,1-dimethylguanidine} carbonate methanol disolvate |
|---|---|
| Formula | C11 H32 N10 O5 |
| Calculated formula | C11 H32 N10 O5 |
| SMILES | C(=NC(N(C)C)=[NH2+])(N)N.CO.C(=O)([O-])[O-].C(=NC(N(C)C)=[NH2+])(N)N.CO |
| Title of publication | Crystal structure of bis{2-[amino(iminiumyl)methyl]-1,1-dimethylguanidine} carbonate methanol disolvate |
| Authors of publication | Dong, Jinlong; Liu, Bin; Yang, Binsheng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 10 |
| Pages of publication | o747 - o748 |
| a | 13.5726 ± 0.0012 Å |
| b | 10.5634 ± 0.0008 Å |
| c | 13.9825 ± 0.0013 Å |
| α | 90° |
| β | 90.386 ± 0.001° |
| γ | 90° |
| Cell volume | 2004.7 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1394 |
| Residual factor for significantly intense reflections | 0.0826 |
| Weighted residual factors for significantly intense reflections | 0.2119 |
| Weighted residual factors for all reflections included in the refinement | 0.2801 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241093.cif 2241093.hkl |
| 158347 | 2015-09-26 | cif/ hkl/ Adding structures of 2241093 via cif-deposit CGI script. |
2241093.cif 2241093.hkl |
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public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.