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Information card for entry 7219187
Preview
| Coordinates | 7219187.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 6b.Br |
|---|---|
| Formula | C29 H48 Br N5 O3 |
| Calculated formula | C29 H48 Br N5 O3 |
| SMILES | [Br-].O(CCCC[NH+]=C(N(C)C)N(C)C)c1ccc(N=Nc2ccc(OCCCCCCCC)cc2)cc1.O |
| Title of publication | Photoresponsive ionic liquid crystals based on azobenzene guanidinium salts. |
| Authors of publication | Wuckert, Eugen; Harjung, Marc D.; Kapernaum, Nadia; Mueller, Carsten; Frey, Wolfgang; Baro, Angelika; Giesselmann, Frank; Laschat, Sabine |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 13 |
| Pages of publication | 8382 - 8392 |
| a | 8.0979 ± 0.0004 Å |
| b | 10.1206 ± 0.0006 Å |
| c | 20.3102 ± 0.0012 Å |
| α | 78.159 ± 0.004° |
| β | 88.1 ± 0.003° |
| γ | 69.662 ± 0.003° |
| Cell volume | 1526.23 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0682 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.0856 |
| Weighted residual factors for all reflections included in the refinement | 0.0911 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180522 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/91. |
7219187.cif |
| 171772 | 2015-12-31 | cif/ (antanas@kurmis) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries. |
7219187.cif |
| 135095 | 2015-04-06 | cif/ Updating files of 7219187, 7219188 Original log message: Adding full bibliography for 7219187--7219188.cif. |
7219187.cif |
| 129064 | 2014-12-25 | cif/ Adding structures of 7219187, 7219188 via cif-deposit CGI script. |
7219187.cif |
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