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Information card for entry 4038401
Preview
| Coordinates | 4038401.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H18 N4 Se |
|---|---|
| Calculated formula | C26 H18 N4 Se |
| SMILES | c1(c(c2ccccc2)nc2ccccn12)[Se]c1c(c2ccccc2)nc2ccccn12 |
| Title of publication | Synthesis and anticancer activity of bis(2-arylimidazo[1,2-a]pyridin-3-yl) selenides and diselenides: the copper-catalyzed tandem C–H selenation of 2-arylimidazo[1,2-a]pyridine with selenium |
| Authors of publication | Matsumura, Mio; Takahashi, Tsutomu; Yamauchi, Hikari; Sakuma, Shunsuke; Hayashi, Yukako; Hyodo, Tadashi; Obata, Tohru; Yamaguchi, Kentaro; Fujiwara, Yasuyuki; Yasuike, Shuji |
| Journal of publication | Beilstein Journal of Organic Chemistry |
| Year of publication | 2020 |
| Journal volume | 16 |
| Pages of publication | 1075 - 1083 |
| a | 12.1774 ± 0.0009 Å |
| b | 13.8146 ± 0.0011 Å |
| c | 12.5652 ± 0.001 Å |
| α | 90° |
| β | 102.665 ± 0.002° |
| γ | 90° |
| Cell volume | 2062.4 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0237 |
| Residual factor for significantly intense reflections | 0.0226 |
| Weighted residual factors for significantly intense reflections | 0.0594 |
| Weighted residual factors for all reflections included in the refinement | 0.0603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4038401.cif |
| 258191 | 2020-10-07 | cif/ Updating files of 4038400, 4038401 Original log message: Adding full bibliography for 4038400--4038401.cif. |
4038401.cif |
| 252242 | 2020-05-21 | cif/ Adding structures of 4038401 via cif-deposit CGI script. |
4038401.cif |
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Users of the data should acknowledge the original authors of the
structural data.