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Information card for entry 1564852
Preview
| Coordinates | 1564852.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H24 O3 Se2 |
|---|---|
| Calculated formula | C30 H24 O3 Se2 |
| SMILES | [Se](C([Se]c1ccccc1)=C(OC(=O)C(=O)c1ccc(cc1)C)c1ccc(cc1)C)c1ccccc1 |
| Title of publication | 2,2-Bis(phenylselanyl)-1-(p-tolyl)vinyl 2-Oxo-2-(p-tolyl)acetate |
| Authors of publication | Kodama, Shintaro; Hung, Vu Thai; Saeki, Tomokazu; Mihara, Kei; Yamamoto, Yuki; Sonoda, Motohiro; Nomoto, Akihiro; Ogawa, Akiya |
| Journal of publication | Molbank |
| Year of publication | 2021 |
| Journal volume | 2021 |
| Journal issue | 4 |
| Pages of publication | M1283 |
| a | 9.62321 ± 0.00017 Å |
| b | 5.73648 ± 0.0001 Å |
| c | 45.1254 ± 0.0008 Å |
| α | 90° |
| β | 91.229 ± 0.006° |
| γ | 90° |
| Cell volume | 2490.5 ± 0.08 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0308 |
| Residual factor for significantly intense reflections | 0.0264 |
| Weighted residual factors for significantly intense reflections | 0.0652 |
| Weighted residual factors for all reflections included in the refinement | 0.0672 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269816 (current) | 2021-10-07 | cif/ Adding structures of 1564852 via cif-deposit CGI script. |
1564852.cif |
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