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Information card for entry 4036564
Preview
| Coordinates | 4036564.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 67 in manuscript |
|---|---|
| Formula | C26 H42 N O4 |
| Calculated formula | C26 H42 N O4 |
| Title of publication | Stereoselective Synthesis of Isochromanones by an Asymmetric Ortho-Lithiation Strategy: Synthetic Access to the Isochromanone Core of the Ajudazols. |
| Authors of publication | Essig, Sebastian; Menche, Dirk |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2016 |
| Journal volume | 81 |
| Journal issue | 5 |
| Pages of publication | 1943 - 1966 |
| a | 15.6 ± 0.004 Å |
| b | 15.6 ± 0.004 Å |
| c | 22.648 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5512 ± 3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0761 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1505 |
| Weighted residual factors for all reflections included in the refinement | 0.1625 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234876 (current) | 2019-11-23 | cif/ Adding structures of 4036560, 4036561, 4036562, 4036563, 4036564 via cif-deposit CGI script. |
4036564.cif |
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Users of the data should acknowledge the original authors of the
structural data.