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Information card for entry 1567217
Preview
| Coordinates | 1567217.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,4,5,8-tetrapentylanthracene |
|---|---|
| Formula | C34 H50 |
| Calculated formula | C34 H50 |
| SMILES | c1(ccc(c2c1cc1c(ccc(c1c2)CCCCC)CCCCC)CCCCC)CCCCC |
| Title of publication | Crystal Structure of 1,4,5,8-Tetrapentylanthracene |
| Authors of publication | Kitamura, Chitoshi; Tsukuda, Hideki; Kawase, Takeshi; Kobayashi, Takashi; Naito, Hiroyoshi |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2010 |
| Journal volume | 26 |
| Pages of publication | 65 - 66 |
| a | 5.35 ± 0.004 Å |
| b | 9.58 ± 0.007 Å |
| c | 14.946 ± 0.01 Å |
| α | 99.685 ± 0.009° |
| β | 90.243 ± 0.011° |
| γ | 96.275 ± 0.015° |
| Cell volume | 750.4 ± 0.9 Å3 |
| Cell temperature | 223 K |
| Ambient diffraction temperature | 223 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 | 0.1332 |
| Residual factor for significantly intense reflections | 0.0915 |
| Weighted residual factors for significantly intense reflections | 0.2452 |
| Weighted residual factors for all reflections included in the refinement | 0.286 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276543 (current) | 2022-07-04 | cif/ Adding structures of 1567217 via cif-deposit CGI script. |
1567217.cif |
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