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Information card for entry 4034804
Preview
| Coordinates | 4034804.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C101 H122 Cl2 O2 Si2 |
|---|---|
| Calculated formula | C101.001 H122.002 Cl2.002 O2 Si2 |
| Title of publication | Synthesis and Electronic Properties of Length-Defined 9,10-Anthrylene-Butadiynylene Oligomers. |
| Authors of publication | Nagaoka, Maiko; Tsurumaki, Eiji; Nishiuchi, Mai; Iwanaga, Tetsuo; Toyota, Shinji |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 10 |
| Pages of publication | 5784 - 5790 |
| a | 13.0957 ± 0.0004 Å |
| b | 19.0281 ± 0.0007 Å |
| c | 19.8599 ± 0.0006 Å |
| α | 68.022 ± 0.003° |
| β | 88.534 ± 0.003° |
| γ | 87.009 ± 0.003° |
| Cell volume | 4582.8 ± 0.3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.1564 |
| Residual factor for significantly intense reflections | 0.0992 |
| Weighted residual factors for significantly intense reflections | 0.2599 |
| Weighted residual factors for all reflections included in the refinement | 0.3037 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 226324 (current) | 2019-11-11 | cif/ Adding structures of 4034804 via cif-deposit CGI script. |
4034804.cif |
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Users of the data should acknowledge the original authors of the
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