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Information card for entry 2022829
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| Coordinates | 2022829.cif |
|---|---|
| Structure factors | 2022829.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>,<i>E</i>)-1,3-(3,4:9,10-Dibenzododeca-1,11-diene-5,7-diyne-1,12-\ diyl)benzene |
|---|---|
| Formula | C26 H16 |
| Calculated formula | C26 H16 |
| Title of publication | Synthesis, optical properties and crystal structure of (E,E)-1,3-(3,4:9,10-dibenzododeca-1,11-diene-5,7-diyne-1,12-diyl)benzene |
| Authors of publication | Watanabe, Hikaru; Sato, Takuma; Sumita, Michiki; Shiroyama, Mei; Sugawara, Daichi; Tokuyama, Tomoki; Okuda, Yasuhiro; Wakamatsu, Kan; Akashi, Haruo; Orita, Akihiro |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 8 |
| Pages of publication | 757 - 761 |
| a | 4.6034 ± 0.0002 Å |
| b | 15.1542 ± 0.0007 Å |
| c | 24.1754 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1686.5 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 2 |
| 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 | 0.0839 |
| Residual factor for significantly intense reflections | 0.0578 |
| Weighted residual factors for significantly intense reflections | 0.1057 |
| Weighted residual factors for all reflections included in the refinement | 0.1149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285385 (current) | 2023-07-29 | cif/ hkl/ Adding structures of 2022829 via cif-deposit CGI script. |
2022829.cif 2022829.hkl |
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Users of the data should acknowledge the original authors of the
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