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Information card for entry 1557195
Preview
| Coordinates | 1557195.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H14 |
|---|---|
| Calculated formula | C20 H14 |
| Title of publication | Linear Biazulene Isomers: Effects of Molecular and Packing Structure on Optoelectronic and Charge-Transport Properties |
| Authors of publication | Shibuya, Yusuke; Aonuma, Kazuhiro; Kimura, Tomohiro; Kaneko, Takuro; Fujiwara, Wataru; Yamaguchi, Yuji; Kumaki, Daisuke; Tokito, Shizuo; Katagiri, Hiroshi |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2020 |
| a | 5.9457 ± 0.0003 Å |
| b | 7.8815 ± 0.0005 Å |
| c | 14.0822 ± 0.0008 Å |
| α | 86.684 ± 0.005° |
| β | 87.09 ± 0.005° |
| γ | 88.848 ± 0.005° |
| Cell volume | 657.85 ± 0.07 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 2 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1123 |
| Residual factor for significantly intense reflections | 0.0583 |
| Weighted residual factors for significantly intense reflections | 0.1269 |
| Weighted residual factors for all reflections included in the refinement | 0.1522 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247395 (current) | 2020-01-31 | cif/ Adding structures of 1557195 via cif-deposit CGI script. |
1557195.cif |
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Users of the data should acknowledge the original authors of the
structural data.