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Information card for entry 4038404
Preview
| Coordinates | 4038404.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H32 O9 S2 |
|---|---|
| Calculated formula | C33 H32 O9 S2 |
| Title of publication | Synthesis of Sugar Diene and its Pd-catalyzed Transformation into Chromanes. |
| Authors of publication | Maikhuri, Vipin Kumar; Khatri, Vinod; Kumar, Amit; Singh, Balram; Prasad, Ashok K. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 33.185 ± 0.005 Å |
| b | 5.9809 ± 0.0009 Å |
| c | 16.116 ± 0.003 Å |
| α | 90° |
| β | 109.647 ± 0.003° |
| γ | 90° |
| Cell volume | 3012.4 ± 0.9 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0369 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0689 |
| Weighted residual factors for all reflections included in the refinement | 0.0709 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252286 (current) | 2020-05-23 | cif/ Adding structures of 4038404 via cif-deposit CGI script. |
4038404.cif |
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Users of the data should acknowledge the original authors of the
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