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Information card for entry 1515914
Preview
| Coordinates | 1515914.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1,2-bis(5-ethyl-2-phenyl-4-thiazolyl)perfluorocyclopentene (94%) and 7,7,8,8,9,9-Hexafluoro-3a,3b-diethyl-2,5-diphenyl-3b,7,8,9- tetrahydro-3aH-3,4-dithia-1,6-diaza-triindene (6%) |
|---|---|
| Chemical name | 1,2-bis(5-ethyl-2-phenyl-4-thiazolyl)perfluorocyclopentene (94%) and 7,7,8,8,9,9-Hexafluoro-3a,3b-diethyl-2,5-diphenyl-3b,7,8,9- tetrahydro-3aH-3,4-dithia-1,6-diaza-triindene (6%) |
| Formula | C27 H20 F6 N2 S2 |
| Calculated formula | C27 H20 F6 N2 S2 |
| Title of publication | Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing. |
| Authors of publication | Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro |
| Journal of publication | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
| Year of publication | 2010 |
| Journal volume | 9 |
| Journal issue | 2 |
| Pages of publication | 221 - 225 |
| a | 21.586 ± 0.002 Å |
| b | 10.8692 ± 0.0011 Å |
| c | 10.7268 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2516.7 ± 0.4 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0463 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0731 |
| Weighted residual factors for all reflections included in the refinement | 0.0807 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1515914.cif |
| 112449 | 2014-05-01 | cif/ Adding structures of 1515911, 1515912, 1515913, 1515914, 1515915, 1515916 via cif-deposit CGI script. |
1515914.cif |
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Users of the data should acknowledge the original authors of the
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