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Information card for entry 1552075
Preview
| Coordinates | 1552075.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H35 N O5 |
|---|---|
| Calculated formula | C36 H35 N O5 |
| Title of publication | Dynamic stereoselective annulation via aldol-oxa-cyclization cascade reaction to afford spirooxindole pyran polycycles |
| Authors of publication | Muhammad Sohail; Fujie Tanaka |
| Journal of publication | Communications Chemistry |
| Year of publication | 2019 |
| Journal volume | 2 |
| Pages of publication | 73 |
| a | 9.50696 ± 0.00008 Å |
| b | 45.2923 ± 0.0003 Å |
| c | 13.97165 ± 0.00013 Å |
| α | 90° |
| β | 106.387 ± 0.0009° |
| γ | 90° |
| Cell volume | 5771.7 ± 0.09 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 4 |
| 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 | 0.0432 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.1079 |
| Weighted residual factors for all reflections included in the refinement | 0.1089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216893 (current) | 2019-07-09 | cif/ Adding structures of 1552075 via cif-deposit CGI script. |
1552075.cif |
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Users of the data should acknowledge the original authors of the
structural data.