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Information card for entry 7125685
Preview
| Coordinates | 7125685.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H22 O2 |
|---|---|
| Calculated formula | C22 H22 O2 |
| Title of publication | Direct synthesis of 2-arylazulenes by [8+2] cycloaddition of 2H-cyclohepta[b]furan-2-ones with silyl enol ethers. |
| Authors of publication | Shoji, Taku; Sugiyama, Shuhei; Kobayashi, Yoshiaki; Yamazaki, Akari; Ariga, Yukino; Katoh, Ryuzi; Wakui, Hiroki; Yasunami, Masafumi; Ito, Shunji |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 10 |
| Pages of publication | 1485 - 1488 |
| a | 12.8804 ± 0.0004 Å |
| b | 9.8767 ± 0.0003 Å |
| c | 13.8827 ± 0.0005 Å |
| α | 90° |
| β | 101.424 ± 0.003° |
| γ | 90° |
| Cell volume | 1731.11 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0371 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0812 |
| Weighted residual factors for all reflections included in the refinement | 0.0826 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7125685.cif |
| 248798 | 2020-03-05 | cif/ Updating files of 7125682, 7125683, 7125684, 7125685 Original log message: Adding full bibliography for 7125682--7125685.cif. |
7125685.cif |
| 245466 | 2019-12-21 | cif/ Adding structures of 7125682, 7125683, 7125684, 7125685 via cif-deposit CGI script. |
7125685.cif |
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Users of the data should acknowledge the original authors of the
structural data.