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Information card for entry 1542475
Preview
| Coordinates | 1542475.cif |
|---|---|
| Structure factors | 1542475.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-Benzyl-<i>N</i>-[2-(<i>N</i>-benzyl-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidiniumyl)ethyl]-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidinium dibromide 1.5-hydrate |
|---|---|
| Formula | C26 H45 Br2 N6 O1.5 |
| Calculated formula | C26 H45 Br2 N6 O1.5 |
| Title of publication | <i>N</i>-Benzyl-<i>N</i>-[2-(<i>N</i>-benzyl-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidiniumyl)ethyl]-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidinium dibromide 1.5-hydrate |
| Authors of publication | Tiritiris, Ioannis; Kantlehner, Willi |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 1 |
| Pages of publication | x160047 |
| a | 12.1957 ± 0.0009 Å |
| b | 7.9654 ± 0.0005 Å |
| c | 30.4821 ± 0.0018 Å |
| α | 90° |
| β | 97.934 ± 0.004° |
| γ | 90° |
| Cell volume | 2932.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.07 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.0794 |
| Weighted residual factors for all reflections included in the refinement | 0.088 |
| 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 |
|---|---|---|---|
| 181861 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding IUCr specific svn headers to multiple entries in range 1. |
1542475.cif 1542475.hkl |
| 177523 | 2016-03-04 | cif/ Updating files of 1542475 Original log message: Adding full bibliography for 1542475.cif. |
1542475.cif 1542475.hkl |
| 176753 | 2016-02-19 | cif/1/54/ Fixing paper titles for structures from IUCrData journal. |
1542475.cif 1542475.hkl |
| 176531 | 2016-02-17 | cif/ hkl/ Adding structures of 1542475 via cif-deposit CGI script. |
1542475.cif 1542475.hkl |
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