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Information card for entry 1514362
Preview
| Coordinates | 1514362.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1-(5-Methyl-2-(4-(p-vinylbenzoyloxymethyl)phenyl)- 4-thiazolyl)-2-(5-methyl-2-phenyl-4-thiazolyl)- perfluorocyclopentene |
|---|---|
| Formula | C35 H24 F6 N2 O2 S2 |
| Calculated formula | C35 H24 F6 N2 O2 S2 |
| SMILES | s1c(C)c(nc1c1ccccc1)C1=C(C(F)(F)C(F)(F)C1(F)F)c1nc(sc1C)c1ccc(cc1)COC(=O)c1ccc(cc1)C=C |
| Title of publication | Crystal thickness dependence of the photoinduced crystal bending of 1-(5-methyl-2-(4-(p-vinylbenzoyloxymethyl)phenyl)-4-thiazolyl)-2-(5-methyl-2-phenyl-4-thiazolyl)perfluorocyclopentene. |
| Authors of publication | Kitagawa, Daichi; Kobatake, Seiya |
| Journal of publication | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
| Year of publication | 2014 |
| Journal volume | 13 |
| Journal issue | 5 |
| Pages of publication | 764 - 769 |
| a | 12.9786 ± 0.0019 Å |
| b | 6.6198 ± 0.0009 Å |
| c | 36.186 ± 0.005 Å |
| α | 90° |
| β | 94.888 ± 0.003° |
| γ | 90° |
| Cell volume | 3097.6 ± 0.8 Å3 |
| Cell temperature | 138 ± 2 K |
| Ambient diffraction temperature | 138 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0793 |
| Residual factor for significantly intense reflections | 0.0559 |
| Weighted residual factors for significantly intense reflections | 0.1566 |
| Weighted residual factors for all reflections included in the refinement | 0.1695 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71075 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. |
1514362.cif |
| 109643 | 2014-04-17 | cif/ Adding structures of 1514362 via cif-deposit CGI script. |
1514362.cif |
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Users of the data should acknowledge the original authors of the
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