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Information card for entry 4037193
Preview
| Coordinates | 4037193.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H75 N2 O6 |
|---|---|
| Calculated formula | C60 H75 N2 O6 |
| Title of publication | An Approach to Optically Pure Bridging Chiral p-tert-Butylcalix[4]arenes through a Homologous Anionic Ortho-Fries Rearrangement. |
| Authors of publication | Xu, Wen-Qiang; Liu, Wen-Shan; Yan, Jiu-Xing; Ma, Shi-Kun; Guo, Jing; Liu, Jun-Min; Wang, Run-Ling; Li, Shao-Yong |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2016 |
| Journal volume | 81 |
| Journal issue | 22 |
| Pages of publication | 10683 - 10687 |
| a | 20.0572 ± 0.0001 Å |
| b | 20.0572 ± 0.0001 Å |
| c | 26.9244 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 9380.31 ± 0.07 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 170 |
| Hermann-Mauguin space group symbol | P 65 |
| Hall space group symbol | P 65 |
| Residual factor for all reflections | 0.0422 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.1158 |
| Weighted residual factors for all reflections included in the refinement | 0.1172 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235781 (current) | 2019-11-24 | cif/ Adding structures of 4037193 via cif-deposit CGI script. |
4037193.cif |
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Users of the data should acknowledge the original authors of the
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