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Information card for entry 1546764
Preview
| Coordinates | 1546764.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H14 O2 Se |
|---|---|
| Calculated formula | C15 H14 O2 Se |
| SMILES | [Se]([C@@]12O[C@@H](C=C1)[C@H]1C(=O)[C@@H]2CC1)c1ccccc1 |
| Title of publication | An Asymmetric, Catalytic (4 + 3) Cycloaddition Reaction of Cyclopentenyl Oxyallylic Cations. |
| Authors of publication | Topinka, Michael; Zawatzky, Kerstin; Barnes, Charles L.; Welch, Christopher J.; Harmata, Michael |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 15 |
| Pages of publication | 4106 - 4109 |
| a | 5.9869 ± 0.0002 Å |
| b | 10.9322 ± 0.0004 Å |
| c | 19.3709 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1267.83 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0421 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0526 |
| Weighted residual factors for all reflections included in the refinement | 0.0551 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199565 (current) | 2017-08-05 | cif/ Adding structures of 1546764 via cif-deposit CGI script. |
1546764.cif |
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Users of the data should acknowledge the original authors of the
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