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Information card for entry 4036358
Preview
| Coordinates | 4036358.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H25 Cl3 N8 O4 |
|---|---|
| Calculated formula | C29 H25 Cl3 N8 O4 |
| Title of publication | Selective Formylation of Azacalixpyridine Macrocycles and Their Transformation to Molecular Semicages. |
| Authors of publication | Ren, Wen-Sheng; Zhao, Liang; Wang, Mei-Xiang |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2015 |
| Journal volume | 80 |
| Journal issue | 18 |
| Pages of publication | 9272 - 9278 |
| a | 9.641 ± 0.003 Å |
| b | 11.263 ± 0.004 Å |
| c | 13.731 ± 0.005 Å |
| α | 82.779 ± 0.012° |
| β | 83.587 ± 0.014° |
| γ | 81.73 ± 0.011° |
| Cell volume | 1457.1 ± 0.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0736 |
| Residual factor for significantly intense reflections | 0.0674 |
| Weighted residual factors for significantly intense reflections | 0.1602 |
| Weighted residual factors for all reflections included in the refinement | 0.1653 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234600 (current) | 2019-11-23 | cif/ Adding structures of 4036358 via cif-deposit CGI script. |
4036358.cif |
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Users of the data should acknowledge the original authors of the
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