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Information card for entry 1555868
Preview
| Coordinates | 1555868.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90.5 H69 Br4 Cl5 N4 O8 S4 |
|---|---|
| Calculated formula | C90.5 H69 Br4 Cl5 N4 O8 S4 |
| Title of publication | PyBidine-Ni(OAc)<sub>2</sub>-Catalyzed Michael/Aldol Reaction of Methyleneindolinones and Thiosalicylaldehydes for Stereochemically Divergent Thiochromanyl-spirooxindoles. |
| Authors of publication | Arai, Takayoshi; Miyazaki, Tomoya; Ogawa, Hiroki; Masu, Hyuma |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 22 |
| Pages of publication | 5824 - 5827 |
| a | 20.4233 ± 0.0013 Å |
| b | 28.5691 ± 0.0018 Å |
| c | 33.289 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 19423 ± 2 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 7 |
| Space group number | 20 |
| Hermann-Mauguin space group symbol | C 2 2 21 |
| Hall space group symbol | C 2c 2 |
| Residual factor for all reflections | 0.0792 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for significantly intense reflections | 0.1421 |
| Weighted residual factors for all reflections included in the refinement | 0.1521 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239193 (current) | 2019-11-24 | cif/ Adding structures of 1555868 via cif-deposit CGI script. |
1555868.cif |
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