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Information card for entry 7052033
Preview
| Coordinates | 7052033.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | PyC8TOV.(1.5(H!2$O)) |
|---|---|
| Formula | C33 H38 Br N5 O3.5 |
| Calculated formula | C33 H38 Br N5 O3.5 |
| Title of publication | Association-mediated chromism of amphiphilic triphenyl-6-oxoverdazyl |
| Authors of publication | Suzuki, Kentaro; Matsushita, Michio M.; Hayashi, Hiroyuki; Koga, Noboru; Sugawara, Tadashi |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2008 |
| Journal volume | 32 |
| Journal issue | 12 |
| Pages of publication | 2201 |
| a | 10.29 ± 0.0005 Å |
| b | 14.2102 ± 0.0011 Å |
| c | 22.7217 ± 0.0018 Å |
| α | 78.549 ± 0.013° |
| β | 82.282 ± 0.014° |
| γ | 79.978 ± 0.013° |
| Cell volume | 3189.4 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1703 |
| Residual factor for significantly intense reflections | 0.0623 |
| Weighted residual factors for significantly intense reflections | 0.1279 |
| Weighted residual factors for all reflections included in the refinement | 0.16 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180074 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/20. |
7052033.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052033.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052033.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7052033.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.