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Information card for entry 1546467
Preview
| Coordinates | 1546467.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H20 O |
|---|---|
| Calculated formula | C26 H19 O |
| SMILES | Oc1c2c3c4c5c6ccccc6ccc5CCc4ccc3CCc2ccc1 |
| Title of publication | Helically Chiral 1-Sulfur-Functionalized [6]Helicene: Synthesis, Optical Resolution, and Functionalization. |
| Authors of publication | Tsujihara, Tetsuya; Zhou, Da-Yang; Suzuki, Takeyuki; Tamura, Satoru; Kawano, Tomikazu |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 12 |
| Pages of publication | 3311 - 3314 |
| a | 9.212 ± 0.003 Å |
| b | 14.231 ± 0.005 Å |
| c | 13.496 ± 0.004 Å |
| α | 90° |
| β | 91.5 ± 0.03° |
| γ | 90° |
| Cell volume | 1768.7 ± 1 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 3 |
| 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 | 0.0874 |
| Residual factor for significantly intense reflections | 0.0738 |
| Weighted residual factors for significantly intense reflections | 0.1817 |
| Weighted residual factors for all reflections included in the refinement | 0.1944 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198407 (current) | 2017-07-05 | cif/ Adding structures of 1546467 via cif-deposit CGI script. |
1546467.cif |
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