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Information card for entry 4036317
Preview
| Coordinates | 4036317.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H18 O2 |
|---|---|
| Calculated formula | C34 H18 O2 |
| Title of publication | Synthesis and Investigation of the Effect of Substitution on the Structure, Physical Properties, and Electrochemical Properties of Anthracenodifuran Derivatives. |
| Authors of publication | Watanabe, Motonori; Doi, Yasutaka; Hagiwara, Hidehisa; Staykov, Aleksandar Tsekov; Ida, Shintaro; Matsumoto, Taisuke; Shinmyozu, Teruo; Ishihara, Tatsumi |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2015 |
| Journal volume | 80 |
| Journal issue | 18 |
| Pages of publication | 9159 - 9166 |
| a | 26.107 ± 0.01 Å |
| b | 5.2005 ± 0.0018 Å |
| c | 17.707 ± 0.006 Å |
| α | 90° |
| β | 108.06 ± 0.03° |
| γ | 90° |
| Cell volume | 2285.6 ± 1.5 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0798 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.0775 |
| Weighted residual factors for all reflections included in the refinement | 0.0821 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4036317.cif |
| 234536 | 2019-11-23 | cif/ Adding structures of 4036317 via cif-deposit CGI script. |
4036317.cif |
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Users of the data should acknowledge the original authors of the
structural data.