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Information card for entry 2241357
Preview
| Coordinates | 2241357.cif |
|---|---|
| Structure factors | 2241357.hkl |
| Original IUCr paper | HTML |
| Chemical name | (1-Ethoxyethylidene)dimethylazanium tetraphenylborate |
|---|---|
| Formula | C30 H34 B N O |
| Calculated formula | C30 H34 B N O |
| SMILES | O(C(=[N+](C)C)C)CC.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Crystal structure of (1-ethoxyethylidene)dimethylazanium tetraphenylborate |
| Authors of publication | Tiritiris, Ioannis; Saur, Stefan; Kantlehner, Willi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | o984 - o985 |
| a | 9.9849 ± 0.0006 Å |
| b | 11.5293 ± 0.0007 Å |
| c | 21.198 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2440.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0428 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.091 |
| Weighted residual factors for all reflections included in the refinement | 0.0948 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181914 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13. |
2241357.cif 2241357.hkl |
| 170528 | 2015-11-25 | cif/ hkl/ Adding structures of 2241357 via cif-deposit CGI script. |
2241357.cif 2241357.hkl |
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Users of the data should acknowledge the original authors of the
structural data.