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Information card for entry 4130846
Preview
| Coordinates | 4130846.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36.5 H21 Cl O |
|---|---|
| Calculated formula | C36.5 H21 Cl O |
| SMILES | ClCCl.o1c2ccc3ccc4ccc5ccccc5c4c3c2c2c3c4c5ccccc5ccc4ccc3ccc12 |
| Title of publication | Efficient Enantioselective Synthesis of Oxahelicenes Using Redox/Acid Cooperative Catalysts. |
| Authors of publication | Sako, Makoto; Takeuchi, Yoshiki; Tsujihara, Tetsuya; Kodera, Junpei; Kawano, Tomikazu; Takizawa, Shinobu; Sasai, Hiroaki |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 36 |
| Pages of publication | 11481 - 11484 |
| a | 15.0088 ± 0.0004 Å |
| b | 10.2881 ± 0.0003 Å |
| c | 16.7851 ± 0.0012 Å |
| α | 90° |
| β | 105.568 ± 0.008° |
| γ | 90° |
| Cell volume | 2496.7 ± 0.2 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for all reflections included in the refinement | 0.1567 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250444 (current) | 2020-04-07 | cif/4 Fixing Z values and formulae |
4130846.cif |
| 241205 | 2019-11-25 | cif/ Adding structures of 4130846 via cif-deposit CGI script. |
4130846.cif |
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Users of the data should acknowledge the original authors of the
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